Gaussian 16 GINC-N7011 ZW519 L-TS-cyclohexatriene-fo_tight_redo ES64L-G16RevC.02 30-Jun-2025 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 32 32 51 51 286 (5D, 7F) def2SVP 90 90 90 90 90 90 90 90 90 90 90 C1[X(C14H18)] C1[X(C14H18)] C1[X(C14H18)] C1[X(C14H18)] C1[X(C14H18)] C1[X(C14H18)] C1[X(C14H18)] C1[X(C14H18)] C1[X(C14H18)] C1[X(C14H18)] C1[X(C14H18)] UwB97XD def2SVP Freq #p opt=(calcall,ts,noeigen,tight) freq uwb97xd guess=(mix,always) def2svp Int=UltraFine 168.14979999999997 0 1 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;16;17;20;23;26;5;8;9;10;11;12;18;19;21;22;24;25;27;28;29;30;31;32/rA:32nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1852,-.0675,-.1279;1.7778,-1.2569,-.0822;1.7016,1.1545,-.2399;3.3076,-1.1542,-.1207;1.3099,-2.2413,-.1411;3.0062,1.4015,-.0884;3.8625,.2032,.3448;3.7529,-1.9603,.4831;3.6178,-1.3481,-1.167;3.4842,2.384,-.1746;3.9216,.2142,1.4512;4.8978,.3154,-.014;-.8931,-.0749,-.0092;-1.1808,-1.518,.471;-.9623,1.0935,1.0112;-1.1145,.2751,-1.5067;-2.708,-1.3282,.6178;-.6461,-1.7708,1.3986;-.9064,-2.2591,-.2939;-2.4977,1.2686,.9984;-.5428,.8024,1.9868;-.3738,1.9456,.6242;-2.6582,.3195,-1.4444;-.6933,-.4818,-2.1848;-.6318,1.2402,-1.7304;-2.6048,.085,.0575;-3.3306,-2.0085,.0182;-3.0692,-1.353,1.6564;-2.9951,1.1195,1.9674;-2.8475,2.2162,.5644;-3.1573,-.4944,-1.9905;-3.1194,1.2729,-1.7406; /u/local/apps/gaussian/G16_C02/g16_avx2/g16 /u/local/apps/gaussian/G16_C02/g16_avx2/l1.exe "/work/9672030.1.houk_pod_xgold.q/Gau-10616.inp" -scrdir="/work/9672030.1.houk_pod_xgold.q/" nproc=12 mem=24GB #p opt=(calcall,ts,noeigen,tight) freq uwb97xd guess=(mix,always) def2 1/5=1,7=10,10=4,11=1,18=20,26=4,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=43,7=101,11=2,25=1,30=1,71=2,74=-58,75=-5,116=2,140=1/1,2,3 4/13=-1/1 5/5=2,38=5/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/10=1,25=1/1,2,3,16 1/5=1,7=10,10=4,11=1,18=20,26=4/3(3) 2/9=110/2 7/8=1,9=1,25=1,44=-1/16 99//99 2/9=110/2 3/5=43,7=101,11=2,25=1,30=1,71=2,74=-58,75=-5,116=2,140=1/1,2,3 4/13=-1/1 5/5=2,38=5/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 7/10=1,25=1/1,2,3,16 1/5=1,7=10,10=4,11=1,18=20,26=4/3(-8) 2/9=110/2 6/7=2,8=2,9=2,10=2,18=1,19=2,28=1/1 7/8=1,9=1,25=1,44=-1/16 99//99 L-TS-cyclohexatriene-fo_tight_redo 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 12 12 12 12 1 12 12 1 1 1 1 1 12 12 12 12 12 1 1 12 1 1 12 1 1 12 1 1 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 1 0 0 1 1 1 1 1 0 0 0 0 0 1 1 0 1 1 0 1 1 0 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /u/local/apps/gaussian/G16_C02/g16_avx2/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 1 1 1 2 2 3 4 4 4 5 6 6 7 7 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 20 20 20 23 23 23 2 3 13 4 5 6 7 8 9 19 7 10 11 12 14 15 16 26 17 18 19 20 21 22 23 24 25 26 27 28 26 29 30 26 31 32 1.3297 1.3313 2.0818 1.5337 1.0915 1.3364 1.5386 1.1012 1.1083 2.2216 1.5351 1.096 1.1081 1.1014 1.5479 1.5528 1.5537 1.7204 1.5459 1.1001 1.0998 1.5454 1.1012 1.1056 1.5455 1.1001 1.102 1.5238 1.1 1.0999 1.5158 1.0994 1.0994 1.521 1.0999 1.0997 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 2 2 3 1 1 4 1 2 2 2 7 7 8 2 3 3 7 4 4 4 6 6 11 1 1 1 14 14 14 15 15 16 13 13 13 17 17 18 13 13 13 20 20 21 13 13 13 23 23 24 14 14 14 26 26 27 5 15 15 15 26 26 29 16 16 16 26 26 31 13 13 13 17 17 20 1 1 1 2 2 2 3 4 4 4 4 4 4 5 6 6 6 7 7 7 7 7 7 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 19 20 20 20 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 3 13 13 4 5 5 6 7 8 9 8 9 9 19 7 10 10 6 11 12 11 12 12 14 15 16 15 16 26 16 26 26 17 18 19 18 19 19 20 21 22 21 22 22 23 24 25 24 25 25 26 27 28 27 28 28 14 26 29 30 29 30 30 26 31 32 31 32 32 17 20 23 20 23 23 130.6259 116.0917 113.2823 112.5693 127.8652 119.1183 122.5948 114.2802 109.9124 106.9259 109.5158 109.8145 106.0461 116.0161 115.6118 125.6272 118.5955 113.7097 109.2719 109.2867 107.6831 110.6681 105.9092 101.9193 94.5456 94.9627 119.2978 118.852 83.6688 117.2295 81.9676 82.8013 95.6573 112.6724 111.4745 115.3597 113.2846 108.0777 97.1284 111.4907 109.0391 114.572 116.0141 108.1251 96.3107 112.618 109.2965 115.283 114.8701 108.0385 90.6897 115.5594 114.291 114.2977 112.9766 108.355 101.2839 89.2471 115.2675 114.6527 114.157 113.9199 108.7169 90.0194 114.3272 115.651 113.0859 114.4785 108.5096 89.7395 91.5084 90.6267 120.0489 120.2452 119.6707 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A76 A77 1 1 13 13 26 26 14 14 -1 -2 185.5881 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 179.2871 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 3 3 13 13 2 13 2 2 2 3 3 3 1 1 1 5 5 5 1 4 1 1 2 2 2 8 8 8 9 9 9 2 3 3 3 10 10 10 1 1 1 15 15 15 16 16 16 26 26 26 1 1 1 14 14 14 16 16 16 26 26 26 1 1 1 14 14 14 15 15 15 26 26 26 14 14 14 15 15 15 16 16 16 13 13 13 18 18 18 19 19 19 13 17 18 13 13 13 21 21 21 22 22 22 13 13 13 24 24 24 25 25 25 14 14 14 27 27 27 28 28 28 15 15 15 29 29 29 30 30 30 16 16 16 31 31 31 32 32 32 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 4 4 4 4 4 4 4 4 4 5 6 6 6 6 6 6 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 20 20 20 23 23 23 23 23 23 23 23 23 2 2 2 2 3 3 13 13 13 13 13 13 4 4 4 4 4 4 5 5 6 6 7 7 7 7 7 7 7 7 7 19 7 7 7 7 7 7 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 16 16 16 26 26 26 26 26 26 26 26 26 17 17 17 17 17 17 17 17 17 19 19 19 20 20 20 20 20 20 20 20 20 23 23 23 23 23 23 23 23 23 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 4 5 4 5 6 6 14 15 16 14 15 16 7 8 9 7 8 9 19 19 7 10 6 11 12 6 11 12 6 11 12 14 4 11 12 4 11 12 17 18 19 17 18 19 17 18 19 17 18 19 20 21 22 20 21 22 20 21 22 20 21 22 23 24 25 23 24 25 23 24 25 23 24 25 17 20 23 17 20 23 17 20 23 26 27 28 26 27 28 26 27 28 5 5 5 26 29 30 26 29 30 26 29 30 26 31 32 26 31 32 26 31 32 13 20 23 13 20 23 13 20 23 13 17 23 13 17 23 13 17 23 13 17 20 13 17 20 13 17 20 2.291 -169.8752 -177.7697 10.0641 -12.4411 167.6182 13.989 135.2202 -106.8993 -166.0611 -44.8299 73.0506 22.8117 146.3982 -98.9228 -164.2633 -40.6769 74.0021 -2.0245 -173.7411 -5.0972 179.6686 -37.4728 82.8586 -161.6735 -161.2723 -40.9409 74.527 82.6609 -157.0077 -41.5398 -44.9218 28.8388 -92.3841 152.2901 -155.5724 83.2047 -32.1212 175.6614 55.1425 -66.5742 73.4614 -47.0574 -168.7742 -81.7918 157.6893 35.9726 -3.6257 -124.1446 114.1387 172.726 -67.2988 52.0125 -80.8834 39.0918 158.4031 74.7646 -165.2602 -45.9489 -2.8234 117.1519 -123.5368 -178.4051 60.8264 -59.2594 75.0641 -45.7044 -165.7902 -80.6958 158.5357 38.4499 -3.6041 -124.3726 115.5416 3.6606 123.7135 -116.5836 -117.1957 2.8571 122.5601 123.8845 -116.0626 3.6403 4.0696 121.5796 -111.6352 122.4685 -120.0215 6.7637 -112.2341 5.2759 132.0611 74.5468 -178.9168 -49.7956 3.1736 119.6846 -112.9385 -114.417 2.094 129.4709 118.4414 -125.0475 2.3293 4.0451 -111.4525 121.4202 122.7407 7.2432 -119.8841 -110.6455 133.8569 6.7296 -3.6432 -95.2352 86.9303 -122.2535 146.1546 -31.6799 113.226 21.6341 -156.2005 -2.8429 87.7288 -94.4242 -120.3565 -29.7848 148.0622 113.934 -155.4942 22.3528 -3.6306 -93.6944 88.4629 112.9819 22.9181 -154.9247 -122.0417 147.8945 -29.9482 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 0.10000e-02 0.10000e-05 F 300 A 286 A 476 300 890.2991923892 32 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Berny optimization. saddle point Step number 10 out of a maximum of 192 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. -0.05724 0.00017 0.00060 0.00223 0.00262 0.00361 0.00464 0.00531 0.00998 0.01199 0.01548 0.01705 0.01727 0.01768 0.01846 0.02130 0.02177 0.02550 0.02777 0.03039 0.03161 0.03362 0.03523 0.03563 0.03911 0.04044 0.04115 0.04219 0.04234 0.04318 0.04481 0.04770 0.04788 0.04900 0.04935 0.05092 0.05123 0.05211 0.05577 0.05776 0.05859 0.06286 0.06402 0.06574 0.07219 0.07536 0.07937 0.08471 0.08787 0.09226 0.09585 0.10152 0.10309 0.10507 0.11058 0.16434 0.17459 0.20062 0.20497 0.20561 0.22023 0.22491 0.23536 0.24648 0.26412 0.26820 0.28007 0.28520 0.29843 0.31867 0.32408 0.32495 0.33572 0.33714 0.33927 0.34014 0.34038 0.34041 0.34063 0.34131 0.34142 0.34172 0.34269 0.34320 0.34333 0.34443 0.35597 0.45440 0.54135 0.59515 1.769417945e-16 0.00000000e+00 Linear search 1 2 0.00000172 0.00000000 0.00000000 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 2.51641 2.52624 4.02579 2.89727 2.06416 2.51816 2.90855 2.08077 2.09395 4.37894 2.90092 2.06936 2.09353 2.08097 2.92372 2.93110 2.92954 3.23987 2.92431 2.07920 2.07900 2.92449 2.08013 2.08386 2.92578 2.07993 2.08334 2.88209 2.07891 2.07890 2.87479 2.07862 2.07847 2.87490 2.07869 2.07851 2.23234 2.06427 1.98636 1.98321 2.21876 2.07521 2.18638 1.99684 1.91968 1.86762 1.91003 1.91417 1.84942 1.95489 2.00159 2.19950 2.07854 1.98586 1.91085 1.90798 1.87690 1.92781 1.84921 1.74959 1.64412 1.65288 2.08109 2.08255 1.46852 2.05517 1.45319 1.45494 1.66397 1.95937 1.95650 2.00145 1.99137 1.88598 1.67602 1.95767 1.92459 2.00594 2.00880 1.88441 1.67449 1.96218 1.92044 2.00821 2.00924 1.88290 1.58578 2.00635 2.00313 1.98675 1.98254 1.88885 1.68109 1.57332 2.00488 2.00584 1.98524 1.99033 1.89200 1.57432 2.00114 2.00931 1.98177 1.99337 1.89180 1.56477 1.58064 1.57912 2.09415 2.09797 2.09097 3.21811 3.13533 -0.00048 -3.02215 -3.11835 0.14316 -0.19743 2.92132 0.02598 2.13308 -2.08488 -3.09515 -0.98806 1.07717 0.42109 2.57898 -1.70293 -2.82968 -0.67178 1.32949 0.21138 -2.80469 -0.07174 -3.12142 -0.65156 1.44887 -2.81576 -2.81462 -0.71419 1.30437 1.44673 -2.73602 -0.71746 -1.10853 0.48017 -1.63926 2.63360 -2.74648 1.41727 -0.59305 3.12342 1.03903 -1.08772 1.36505 -0.71935 -2.84609 -1.39060 2.80819 0.68145 -0.01191 -2.09631 2.06014 3.07445 -1.11348 0.98737 -1.38992 0.70533 2.80618 1.37172 -2.81621 -0.71536 -0.00414 2.09111 -2.09123 -3.08932 1.09523 -1.00384 1.36949 -0.72915 -2.82822 -1.39183 2.79272 0.69365 -0.01701 -2.11564 2.06847 0.01203 2.10615 -2.08592 -2.08994 0.00419 2.09530 2.11516 -2.07390 0.01722 0.01332 2.05390 -2.02170 2.06401 -2.17859 0.02899 -2.03065 0.00993 2.21752 1.40829 -3.00819 -0.75989 0.00463 2.03662 -2.03332 -2.05259 -0.02061 2.19264 2.02454 -2.22666 -0.01341 0.01904 -2.00870 2.06179 2.08146 0.05372 -2.15898 -1.99535 2.26010 0.04739 -0.01197 -1.59065 1.56495 -2.06969 2.63481 -0.49277 2.04111 0.46243 -2.66516 -0.00417 1.56535 -1.59019 -2.05362 -0.48410 2.64354 2.04755 -2.66612 0.46152 -0.01712 -1.58579 1.56978 2.02786 0.45919 -2.66842 -2.07397 2.64055 -0.48706 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 2.51641 2.52624 4.02579 2.89727 2.06416 2.51816 2.90855 2.08077 2.09395 4.37894 2.90092 2.06936 2.09353 2.08097 2.92372 2.93110 2.92954 3.23987 2.92431 2.07920 2.07900 2.92449 2.08013 2.08386 2.92578 2.07993 2.08334 2.88209 2.07891 2.07890 2.87479 2.07862 2.07847 2.87490 2.07869 2.07851 2.23234 2.06427 1.98636 1.98321 2.21876 2.07521 2.18638 1.99684 1.91968 1.86762 1.91003 1.91417 1.84942 1.95489 2.00159 2.19950 2.07854 1.98586 1.91085 1.90798 1.87690 1.92781 1.84921 1.74959 1.64412 1.65288 2.08109 2.08255 1.46852 2.05517 1.45319 1.45494 1.66397 1.95937 1.95650 2.00145 1.99137 1.88598 1.67602 1.95767 1.92459 2.00594 2.00880 1.88441 1.67449 1.96218 1.92044 2.00821 2.00924 1.88290 1.58578 2.00635 2.00313 1.98675 1.98254 1.88885 1.68109 1.57332 2.00488 2.00584 1.98524 1.99033 1.89200 1.57432 2.00114 2.00931 1.98177 1.99337 1.89180 1.56477 1.58064 1.57912 2.09415 2.09797 2.09097 3.21811 3.13533 -0.00048 -3.02215 -3.11835 0.14316 -0.19743 2.92132 0.02598 2.13308 -2.08488 -3.09515 -0.98805 1.07717 0.42109 2.57898 -1.70293 -2.82968 -0.67178 1.32949 0.21138 -2.80469 -0.07174 -3.12142 -0.65156 1.44888 -2.81575 -2.81462 -0.71419 1.30437 1.44673 -2.73602 -0.71746 -1.10852 0.48017 -1.63926 2.63360 -2.74648 1.41727 -0.59305 3.12343 1.03903 -1.08771 1.36505 -0.71935 -2.84609 -1.39060 2.80819 0.68145 -0.01191 -2.09631 2.06014 3.07445 -1.11348 0.98736 -1.38992 0.70533 2.80618 1.37172 -2.81621 -0.71536 -0.00414 2.09111 -2.09123 -3.08932 1.09523 -1.00384 1.36949 -0.72915 -2.82822 -1.39183 2.79272 0.69365 -0.01701 -2.11564 2.06847 0.01203 2.10615 -2.08592 -2.08994 0.00419 2.09530 2.11516 -2.07390 0.01722 0.01332 2.05390 -2.02170 2.06401 -2.17859 0.02899 -2.03065 0.00993 2.21752 1.40829 -3.00819 -0.75990 0.00463 2.03662 -2.03332 -2.05259 -0.02061 2.19264 2.02454 -2.22666 -0.01341 0.01904 -2.00870 2.06179 2.08146 0.05372 -2.15898 -1.99535 2.26010 0.04739 -0.01197 -1.59065 1.56495 -2.06969 2.63481 -0.49277 2.04111 0.46243 -2.66516 -0.00417 1.56535 -1.59019 -2.05362 -0.48410 2.64354 2.04755 -2.66612 0.46152 -0.01712 -1.58579 1.56978 2.02786 0.45919 -2.66842 -2.07397 2.64055 -0.48706 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000000 0.000000 0.000009 0.000002 0.000015 0.000010 0.000060 0.000040 YES YES YES YES -3.094619e-13 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 1 1 1 2 2 3 4 4 4 5 6 6 7 7 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 20 20 20 23 23 23 2 3 13 4 5 6 7 8 9 19 7 10 11 12 14 15 16 26 17 18 19 20 21 22 23 24 25 26 27 28 26 29 30 26 31 32 1.3316 1.3368 2.1304 1.5332 1.0923 1.3326 1.5391 1.1011 1.1081 2.3172 1.5351 1.0951 1.1079 1.1012 1.5472 1.5511 1.5502 1.7145 1.5475 1.1003 1.1002 1.5476 1.1008 1.1027 1.5483 1.1007 1.1025 1.5251 1.1001 1.1001 1.5213 1.1 1.0999 1.5213 1.1 1.0999 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 2 2 3 1 1 4 1 2 2 2 7 7 8 2 3 3 7 4 4 4 6 6 11 1 1 1 14 14 14 15 15 16 13 13 13 17 17 18 13 13 13 20 20 21 13 13 13 23 23 24 14 14 14 26 26 27 5 15 15 15 26 26 29 16 16 16 26 26 31 13 13 13 17 17 20 1 1 1 2 2 2 3 4 4 4 4 4 4 5 6 6 6 7 7 7 7 7 7 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 19 20 20 20 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 3 13 13 4 5 5 6 7 8 9 8 9 9 19 7 10 10 6 11 12 11 12 12 14 15 16 15 16 26 16 26 26 17 18 19 18 19 19 20 21 22 21 22 22 23 24 25 24 25 25 26 27 28 27 28 28 14 26 29 30 29 30 30 26 31 32 31 32 32 17 20 23 20 23 23 127.9035 118.274 113.8102 113.6297 127.1255 118.9009 125.2704 114.4104 109.9896 107.0067 109.4366 109.6737 105.9638 112.0068 114.6829 126.0221 119.0914 113.7815 109.4837 109.319 107.5387 110.4557 105.9518 100.2443 94.2013 94.7029 119.2377 119.3214 84.1397 117.7528 83.2616 83.362 95.3385 112.2637 112.099 114.6748 114.0972 108.0585 96.0287 112.166 110.271 114.9322 115.0958 107.9686 95.9414 112.4247 110.0331 115.0617 115.1211 107.8821 90.8584 114.9554 114.771 113.8324 113.5911 108.2233 96.3193 90.1448 114.871 114.926 113.7458 114.0373 108.4036 90.2022 114.6568 115.125 113.547 114.2117 108.392 89.6548 90.5639 90.4768 119.9861 120.205 119.804 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A76 1 13 26 14 -1 184.384 -DE/DX|=|0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 3 3 13 13 2 13 2 2 2 3 3 3 1 1 1 5 5 5 1 4 1 1 2 2 2 8 8 8 9 9 9 2 3 3 3 10 10 10 1 1 1 15 15 15 16 16 16 26 26 26 1 1 1 14 14 14 16 16 16 26 26 26 1 1 1 14 14 14 15 15 15 26 26 26 14 14 14 15 15 15 16 16 16 13 13 13 18 18 18 19 19 19 13 17 18 13 13 13 21 21 21 22 22 22 13 13 13 24 24 24 25 25 25 14 14 14 27 27 27 28 28 28 15 15 15 29 29 29 30 30 30 16 16 16 31 31 31 32 32 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 4 4 4 4 4 4 4 4 4 5 6 6 6 6 6 6 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 20 20 20 23 23 23 23 23 23 23 23 2 2 2 2 3 3 13 13 13 13 13 13 4 4 4 4 4 4 5 5 6 6 7 7 7 7 7 7 7 7 7 19 7 7 7 7 7 7 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 16 16 16 26 26 26 26 26 26 26 26 26 17 17 17 17 17 17 17 17 17 19 19 19 20 20 20 20 20 20 20 20 20 23 23 23 23 23 23 23 23 23 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 4 5 4 5 6 6 14 15 16 14 15 16 7 8 9 7 8 9 19 19 7 10 6 11 12 6 11 12 6 11 12 14 4 11 12 4 11 12 17 18 19 17 18 19 17 18 19 17 18 19 20 21 22 20 21 22 20 21 22 20 21 22 23 24 25 23 24 25 23 24 25 23 24 25 17 20 23 17 20 23 17 20 23 26 27 28 26 27 28 26 27 28 5 5 5 26 29 30 26 29 30 26 29 30 26 31 32 26 31 32 26 31 32 13 20 23 13 20 23 13 20 23 13 17 23 13 17 23 13 17 23 13 17 20 13 17 20 13 17 -0.0275 -173.1567 -178.6682 8.2026 -11.3121 167.3794 1.4885 122.2163 -119.4548 -177.3392 -56.6114 61.7175 24.1265 147.7647 -97.5707 -162.1284 -38.4902 76.1743 12.1114 -160.6968 -4.1105 -178.8439 -37.3317 83.0143 -161.3309 -161.266 -40.92 74.7347 82.8917 -156.7623 -41.1076 -63.5139 27.5118 -93.9228 150.8943 -157.3616 81.2037 -33.9792 178.959 59.5318 -62.3215 78.2117 -41.2155 -163.0688 -79.6754 160.8974 39.0441 -0.6823 -120.1095 118.0372 176.1531 -63.7977 56.5719 -79.6368 40.4124 160.782 78.594 -161.3569 -40.9873 -0.2372 119.812 -119.8184 -177.005 62.752 -57.5157 78.4658 -41.7772 -162.0449 -79.7462 160.0108 39.7431 -0.9745 -121.2175 118.5148 0.6893 120.6737 -119.5142 -119.7445 0.2399 120.0521 121.1899 -118.8257 0.9864 0.763 117.6797 -115.8348 118.2591 -124.8243 1.6612 -116.3478 0.5689 127.0544 80.6891 -172.3566 -43.5388 0.2654 116.6898 -116.5004 -117.605 -1.1807 125.6291 115.9977 -127.578 -0.7682 1.0909 -115.0899 118.1316 119.2587 3.0779 -123.7006 -114.3253 129.494 2.7154 -0.6856 -91.1374 89.6651 -118.5845 150.9637 -28.2338 116.9469 26.4951 -152.7024 -0.2388 89.688 -91.1113 -117.6639 -27.7371 151.4636 117.3157 -152.7575 26.4432 -0.9811 -90.8592 89.9419 116.1878 26.3098 -152.8892 -118.8295 151.2924 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 Grimme-D2 -0.0268155257 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;16;17;20;23;26;5;8;9;10;11;12;18;19;21;22;24;25;27;28;29;30;31;32/rA:32nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1852,-.0675,-.1279;1.7778,-1.2569,-.0822;1.7016,1.1545,-.2399;3.3076,-1.1542,-.1207;1.3099,-2.2413,-.1411;3.0062,1.4015,-.0884;3.8625,.2032,.3448;3.7529,-1.9603,.4831;3.6177,-1.3481,-1.167;3.4842,2.384,-.1746;3.9216,.2142,1.4512;4.8978,.3154,-.014;-.8932,-.0749,-.0092;-1.1808,-1.518,.471;-.9623,1.0935,1.0112;-1.1145,.2751,-1.5067;-2.708,-1.3282,.6178;-.6461,-1.7708,1.3986;-.9064,-2.2591,-.2939;-2.4977,1.2686,.9984;-.5428,.8024,1.9868;-.3738,1.9456,.6242;-2.6582,.3195,-1.4444;-.6933,-.4818,-2.1848;-.6318,1.2402,-1.7304;-2.6048,.085,.0575;-3.3306,-2.0085,.0182;-3.0692,-1.353,1.6564;-2.9951,1.1195,1.9675;-2.8475,2.2162,.5644;-3.1573,-.4944,-1.9905;-3.1194,1.2729,-1.7406; 0.000000 1.329664 0.000000 1.331316 2.417774 0.000000 2.384413 1.533654 2.814934 0.000000 2.177427 1.091537 3.419749 2.274374 0.000000 2.339940 2.928469 1.336423 2.573640 4.018710 0.000000 2.732113 2.580722 2.432367 1.538633 3.567566 1.535147 0.000000 3.247906 2.171431 3.799041 1.101195 2.537060 3.490810 2.170729 0.000000 2.938839 2.137814 3.285477 1.108336 2.678877 3.016214 2.179891 1.765150 0.000000 3.361152 4.022011 2.166521 3.543079 5.110996 1.096040 2.273461 4.402028 3.864116 0.000000 3.171820 3.018467 2.944900 2.172719 3.922456 2.148946 1.108095 2.386264 3.064004 2.746384 0.000000 3.733941 3.494352 3.312230 2.167904 4.407413 2.182471 1.101358 2.595461 2.394788 2.510622 1.763498 0.000000 2.081793 2.921768 2.880489 4.338614 3.092596 4.170246 4.776917 5.038135 4.828013 5.023448 5.039637 5.804045 0.000000 2.839196 3.021235 3.994507 4.541813 2.664830 5.134952 5.330458 4.953484 5.073254 6.116005 5.476840 6.367534 1.547928 0.000000 2.693948 3.772036 2.943687 4.956351 4.196578 4.129556 4.951314 5.642463 5.628741 4.779485 4.981852 5.999734 1.552777 2.675739 0.000000 2.703215 3.569600 3.210690 4.849639 3.751678 4.501191 5.310738 5.713846 5.014454 5.231686 5.840821 6.194960 1.553675 2.670397 2.651931 0.000000 4.159689 4.540704 5.132654 6.063244 4.189647 6.372003 6.752155 6.493124 6.572748 7.263099 6.857467 7.806930 2.292987 1.545935 3.011121 3.102171 0.000000 2.930061 2.886562 4.093122 4.280161 2.533317 5.061010 5.033358 4.497195 4.994083 6.066052 4.980599 6.089448 2.217922 1.100127 2.907602 3.584120 2.248785 0.000000 3.034097 2.873026 4.296190 4.359825 2.221606 5.361957 5.404935 4.733037 4.696783 6.391432 5.698409 6.355645 2.202763 1.099819 3.598110 2.817183 2.223451 1.780670 0.000000 4.076458 5.081926 4.379495 6.389328 5.302398 5.611721 6.481819 7.054127 6.995313 6.197025 6.520976 7.525009 2.322670 3.126951 1.545359 3.029141 2.633022 3.581438 4.080123 0.000000 2.866128 3.729161 3.181101 4.805737 4.150179 4.154614 4.739374 5.324086 5.646302 4.836342 4.534631 5.817172 2.208293 2.844138 1.101184 3.579055 3.331947 2.641562 3.834928 2.239646 0.000000 2.654975 3.922350 2.383226 4.869983 4.577201 3.496925 4.589158 5.683812 5.476277 3.964195 4.704454 5.554680 2.180230 3.559738 1.105563 2.807146 4.020779 3.806004 4.336650 2.260324 1.786713 0.000000 4.081015 4.900898 4.599496 6.286028 4.899174 5.924065 6.762675 7.072077 6.499624 6.603307 7.189469 7.690139 2.308785 3.037730 3.083000 1.545538 2.640113 4.062070 3.322907 2.625612 4.059718 3.484489 0.000000 2.816254 3.335898 3.492173 4.551868 3.359409 4.650544 5.255763 5.391862 4.513483 5.450229 5.916232 6.050424 2.222306 2.892209 3.573266 1.100056 3.553936 3.808499 2.603840 4.056171 4.367395 3.726231 2.247458 0.000000 2.753051 3.841615 2.770057 4.882888 4.291450 3.994600 5.057649 5.862387 5.007505 4.546441 5.648697 5.863190 2.181729 3.571430 2.765306 1.102016 4.052334 4.342406 3.792610 3.305823 3.743930 2.471467 2.244045 1.781949 0.000000 3.797637 4.585611 4.447149 6.043484 4.558068 5.765227 6.474761 6.692122 6.501791 6.512729 6.674766 7.506433 1.720395 2.183691 2.150421 2.168817 1.523770 3.013170 2.916018 1.515830 2.913569 2.959790 1.521015 3.000522 2.902357 0.000000 4.917516 5.164433 5.949311 6.694374 4.649079 7.196862 7.532561 7.098896 7.079583 8.110097 7.719334 8.550293 3.111419 2.251051 4.027061 3.528642 1.099982 3.027990 2.457072 3.520555 4.421377 4.974451 2.830372 3.760307 4.571131 2.216124 0.000000 4.789237 5.150345 5.713503 6.622781 4.816285 6.895108 7.224347 6.948849 7.258576 7.763103 7.167245 8.309410 3.023766 2.235737 3.292503 4.059142 1.099858 2.472389 3.050029 2.762714 3.337337 4.383104 3.546960 4.599890 4.912811 2.199995 1.783706 0.000000 4.824390 5.712223 5.189639 7.018131 5.854393 6.349944 7.106291 7.564636 7.722923 6.940397 6.994719 8.177392 3.122831 3.533816 2.246618 4.039721 2.809893 3.767700 4.570770 1.099425 2.472834 3.059062 3.520544 5.010373 4.390176 2.206921 3.700924 2.493130 0.000000 4.685895 5.820187 4.740064 7.050851 6.136051 5.946089 7.008897 7.811215 7.582982 6.376930 7.114408 7.996057 3.065565 4.090402 2.239248 3.325727 3.547609 4.630195 4.953129 1.099423 3.055213 2.489174 2.769201 4.413362 3.335848 2.204064 4.287205 3.739126 1.786956 0.000000 4.744377 5.345890 5.421445 6.762097 5.140801 6.723173 7.430861 7.484519 6.878096 7.462747 7.903021 8.333444 3.037723 3.318619 4.043458 2.235865 2.774974 4.406966 3.325551 3.532282 4.933206 4.531914 1.099916 2.471701 3.074855 2.198931 2.521405 3.747620 4.277451 3.737760 0.000000 4.788218 5.756112 5.050497 7.058371 5.875922 6.345779 7.364742 7.913672 7.251722 6.877092 7.802768 8.256663 3.125734 4.054446 3.501088 2.251588 3.535159 5.023537 4.411971 2.808703 4.555673 3.685516 1.099735 3.026877 2.487828 2.215646 3.729045 4.293884 3.713332 2.505339 1.785287 0.000000 C14H18 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;16;17;20;23;26;5;8;9;10;11;12;18;19;21;22;24;25;27;28;29;30;31;32/rA:32nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1852,.0675,.1279;1.7778,1.2569,.0822;1.7016,-1.1545,.2399;3.3076,1.1542,.1207;1.3099,2.2413,.1411;3.0062,-1.4015,.0884;3.8625,-.2032,-.3448;3.7529,1.9603,-.4831;3.6177,1.3481,1.167;3.4842,-2.384,.1746;3.9216,-.2142,-1.4512;4.8978,-.3154,.014;-.8932,.0749,.0092;-1.1808,1.518,-.471;-.9623,-1.0935,-1.0112;-1.1145,-.2751,1.5067;-2.708,1.3282,-.6178;-.6461,1.7708,-1.3986;-.9064,2.2591,.2939;-2.4977,-1.2686,-.9984;-.5428,-.8024,-1.9868;-.3738,-1.9456,-.6242;-2.6582,-.3195,1.4444;-.6933,.4818,2.1848;-.6318,-1.2402,1.7304;-2.6048,-.085,-.0575;-3.3306,2.0085,-.0182;-3.0692,1.353,-1.6564;-2.9951,-1.1195,-1.9675;-2.8475,-2.2162,-.5644;-3.1573,.4944,1.9905;-3.1194,-1.2729,1.7406; 1.5622279 0.4396337 0.4088782 -10.33708 -10.31132 -10.30940 -10.30838 -10.30713 -10.30588 -10.30540 -10.30406 -10.30302 -10.29547 -10.29409 -10.28644 -10.28629 -10.25539 -1.01095 -0.92226 -0.86420 -0.86115 -0.82609 -0.81079 -0.79377 -0.70776 -0.70112 -0.69263 -0.67286 -0.66303 -0.58750 -0.58455 -0.56930 -0.55253 -0.54010 -0.52183 -0.51920 -0.51739 -0.50735 -0.50449 -0.49545 -0.47488 -0.47372 -0.43845 -0.43635 -0.43330 -0.42629 -0.41868 -0.41616 -0.38206 -0.37965 -0.37949 -0.32365 -0.26771 -0.24217 0.00407 0.05550 0.12297 0.13673 0.14418 0.14584 0.16211 0.17059 0.17604 0.18424 0.19413 0.19697 0.19824 0.21080 0.21562 0.21865 0.22458 0.23353 0.24834 0.25609 0.26269 0.26685 0.28250 0.29796 0.30510 0.30644 0.30906 0.31548 0.32309 0.33217 0.37467 0.38529 0.42224 0.43051 0.43222 0.44761 0.45304 0.46291 0.46848 0.49627 0.51035 0.52916 0.54588 0.55581 0.56780 0.57003 0.58090 0.58713 0.61951 0.62636 0.62870 0.63169 0.63985 0.65081 0.65612 0.66742 0.67031 0.67577 0.68618 0.69471 0.70123 0.71211 0.72200 0.72767 0.72965 0.73215 0.74749 0.74905 0.75340 0.75734 0.75944 0.76590 0.76737 0.78134 0.78351 0.78709 0.78961 0.79514 0.80023 0.80689 0.80956 0.82424 0.83393 0.84260 0.84964 0.85333 0.85948 0.86928 0.87917 0.88355 0.92003 0.93167 0.94839 0.95735 0.98157 1.00284 1.00614 1.05791 1.11234 1.13058 1.14112 1.15759 1.17944 1.19511 1.23625 1.26350 1.27844 1.28184 1.29933 1.31274 1.32339 1.35689 1.37203 1.37777 1.41794 1.43738 1.45807 1.53153 1.54993 1.55778 1.56583 1.57828 1.61828 1.64878 1.66522 1.67391 1.68909 1.70274 1.70740 1.71284 1.75244 1.77067 1.78587 1.80351 1.80604 1.81511 1.82139 1.83095 1.83493 1.84401 1.85040 1.85965 1.86373 1.87129 1.88867 1.88908 1.89539 1.90747 1.91060 1.91524 1.91754 1.93192 1.93850 1.94453 1.96076 1.96777 1.97628 1.98470 2.00104 2.00373 2.01734 2.02459 2.04207 2.06325 2.07924 2.08225 2.09122 2.11858 2.13117 2.13968 2.15178 2.15503 2.16814 2.17754 2.19472 2.20370 2.20647 2.23533 2.24812 2.29091 2.29725 2.31076 2.35757 2.37261 2.38261 2.39532 2.40330 2.40662 2.41221 2.41997 2.43333 2.46396 2.46988 2.47463 2.49882 2.52032 2.52495 2.53546 2.55258 2.57495 2.64397 2.64766 2.65839 2.68625 2.69803 2.69933 2.76393 2.78883 2.80835 2.81435 2.82196 2.86182 2.89552 2.92124 2.92529 2.93492 2.94422 2.94891 2.95809 2.97000 2.98070 3.00308 3.00974 3.01996 3.03777 3.05923 3.09137 3.10937 3.12774 3.15366 3.16409 3.21581 3.22437 3.22873 3.46699 -10.33463 -10.31184 -10.30903 -10.30856 -10.30667 -10.30558 -10.30550 -10.30424 -10.30045 -10.29655 -10.29377 -10.28682 -10.28569 -10.25944 -1.00784 -0.92236 -0.86348 -0.86043 -0.82474 -0.81332 -0.79280 -0.70753 -0.70072 -0.69019 -0.67434 -0.66277 -0.58695 -0.58405 -0.56796 -0.55250 -0.53938 -0.52111 -0.51860 -0.51657 -0.50694 -0.50429 -0.49662 -0.47465 -0.47354 -0.43911 -0.43712 -0.43319 -0.42596 -0.41862 -0.41673 -0.38200 -0.37946 -0.37824 -0.31846 -0.26950 -0.25778 0.00554 0.05499 0.12309 0.13701 0.14433 0.14666 0.16385 0.17090 0.17654 0.18473 0.19425 0.19719 0.19834 0.21200 0.21494 0.21870 0.22514 0.23269 0.24835 0.25594 0.26234 0.26680 0.28284 0.29865 0.30534 0.30723 0.30932 0.31570 0.32282 0.33234 0.37461 0.38551 0.42232 0.43068 0.43213 0.44746 0.45308 0.46298 0.46768 0.49698 0.51069 0.52874 0.54589 0.55697 0.56849 0.56986 0.58081 0.58659 0.61845 0.62564 0.62910 0.63034 0.64003 0.65211 0.65674 0.66757 0.67110 0.67644 0.68615 0.69596 0.70144 0.71243 0.71984 0.72762 0.72940 0.73225 0.74731 0.74899 0.75357 0.75714 0.75897 0.76593 0.76717 0.78143 0.78333 0.78698 0.79006 0.79485 0.80006 0.80697 0.80922 0.82393 0.83337 0.84252 0.85061 0.85438 0.86019 0.86960 0.87821 0.88399 0.91949 0.93143 0.94642 0.95774 0.98193 1.00288 1.00619 1.05748 1.11254 1.12994 1.14183 1.15806 1.17967 1.19547 1.23798 1.26498 1.27999 1.28279 1.29971 1.31326 1.32323 1.35690 1.37187 1.37837 1.41853 1.43710 1.45864 1.52802 1.55021 1.55831 1.56602 1.57888 1.61817 1.65016 1.66597 1.67444 1.68958 1.70360 1.70847 1.71240 1.75232 1.76991 1.78576 1.80401 1.80623 1.81435 1.82124 1.83171 1.83472 1.84397 1.84995 1.85981 1.86375 1.87108 1.88887 1.88920 1.89527 1.90764 1.91049 1.91462 1.91722 1.93145 1.93887 1.94444 1.96061 1.96696 1.97596 1.98490 2.00113 2.00397 2.01612 2.02476 2.04228 2.06399 2.07935 2.08230 2.09088 2.11942 2.13120 2.14036 2.15215 2.15587 2.16770 2.17862 2.19550 2.20474 2.20818 2.23372 2.24781 2.29126 2.29773 2.31089 2.35758 2.37286 2.38290 2.39514 2.40226 2.40710 2.41198 2.41998 2.43417 2.46319 2.47022 2.47482 2.49872 2.51917 2.52444 2.53539 2.55202 2.57580 2.64330 2.64780 2.65845 2.68594 2.69853 2.69979 2.76444 2.78798 2.80807 2.81494 2.82249 2.86236 2.89454 2.92190 2.92599 2.93476 2.94428 2.94919 2.95834 2.96976 2.98080 3.00429 3.01003 3.02015 3.03827 3.05976 3.09068 3.10927 3.12815 3.15351 3.16084 3.21645 3.22494 3.22910 3.46490 1-A. -2.5283 1.6508 -0.4009 3.0460 -81.8920 -85.3347 -85.5327 2.4037 -0.7734 0.7660 2.3612 -1.0816 -1.2796 2.4037 -0.7734 0.7660 2.4805 7.5782 -4.8214 -5.8606 3.4946 -1.1952 -9.1905 3.6149 1.7910 0.5116 -2961.6639 -700.7616 -449.7195 -2.8712 -2.4259 12.4404 0.7204 2.2936 3.2713 -602.5404 -574.7949 -196.9320 1.5688 -7.4140 4.2559 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;16;17;20;23;26;5;8;9;10;11;12;18;19;21;22;24;25;27;28;29;30;31;32/rA:32nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1976,-.0836,-.1212;1.8115,-1.263,-.0504;1.7537,1.1232,-.2418;3.3404,-1.164,-.1121;1.3437,-2.2501,-.0637;3.0502,1.3964,-.1039;3.9086,.1981,.3261;3.795,-1.9619,.4955;3.6357,-1.373,-1.1595;3.5156,2.3837,-.1898;3.9897,.2255,1.4306;4.9361,.3041,-.0556;-.934,-.0574,-.0086;-1.1955,-1.5057,.4711;-.9868,1.1052,1.0151;-1.1328,.2888,-1.5077;-2.7286,-1.3384,.5983;-.6688,-1.7471,1.4064;-.8965,-2.2447,-.2872;-2.527,1.2581,1.0099;-.557,.8162,1.9867;-.4205,1.9744,.6401;-2.6791,.3324,-1.4497;-.7093,-.4716,-2.1808;-.6524,1.2521,-1.742;-2.6402,.083,.0524;-3.3307,-2.0238,-.0167;-3.1052,-1.3822,1.631;-3.0167,1.0954,1.9812;-2.891,2.208,.5918;-3.1761,-.4734,-2.01;-3.1371,1.2893,-1.7408; 0.000000 1.331385 0.000000 1.334238 2.394514 0.000000 2.399674 1.533342 2.786648 0.000000 2.172142 1.092428 3.402783 2.273453 0.000000 2.371237 2.934226 1.332084 2.576820 4.026269 0.000000 2.762068 2.583561 2.412865 1.539593 3.567169 1.535523 0.000000 3.264094 2.172766 3.771996 1.101121 2.530723 3.491740 2.169613 0.000000 2.946963 2.137758 3.258085 1.108127 2.687614 3.021072 2.179454 1.763808 0.000000 3.386086 4.027650 2.167007 3.552888 5.119126 1.094881 2.279798 4.408163 3.881726 0.000000 3.209289 3.025549 2.932987 2.175397 3.919579 2.146769 1.107800 2.386855 3.064184 2.740147 0.000000 3.759065 3.495585 3.291341 2.169078 4.407870 2.179930 1.101181 2.596262 2.392132 2.521991 1.763706 0.000000 2.134782 2.998797 2.944807 4.416500 3.162146 4.242190 4.860908 5.122952 4.892630 5.078459 5.137539 5.881386 0.000000 2.846100 3.061501 4.014618 4.585961 2.699601 5.174826 5.382983 5.011386 5.100694 6.144843 5.550195 6.414781 1.547937 0.000000 2.734314 3.817573 3.015064 5.014395 4.225302 4.199327 5.026226 5.704612 5.677859 4.833049 5.070746 6.071974 1.549896 2.675109 0.000000 2.737093 3.633168 3.260443 4.905814 3.829349 4.549099 5.365330 5.775888 5.061745 5.266207 5.905705 6.240159 1.551309 2.671951 2.655570 0.000000 4.184186 4.586779 5.182290 6.112870 4.225293 6.431672 6.818197 6.554122 6.602668 7.311995 6.947980 7.865917 2.286888 1.547408 3.029616 3.103089 0.000000 2.929857 2.916852 4.101615 4.326505 2.542457 5.098345 5.089532 4.560794 5.025120 6.092648 5.058976 6.144841 2.219818 1.100250 2.896512 3.584901 2.250112 0.000000 3.013797 2.890121 4.285805 4.376012 2.251339 5.372832 5.425196 4.764732 4.696981 6.395167 5.738275 6.369378 2.205296 1.100183 3.595209 2.822003 2.227529 1.779738 0.000000 4.117383 5.128587 4.462015 6.446038 5.333163 5.689003 6.558103 7.113412 7.043306 6.262562 6.611439 7.598892 2.303340 3.114759 1.547776 3.036691 2.636625 3.555492 4.075568 0.000000 2.886493 3.752624 3.224873 4.849242 4.149551 4.209403 4.804293 5.374086 5.680639 4.876534 4.618501 5.882768 2.210512 2.845337 1.101083 3.580548 3.359435 2.630506 3.828113 2.242901 0.000000 2.726471 3.992378 2.495911 4.955741 4.631878 3.596283 4.689901 5.769364 5.558480 4.043432 4.809730 5.653921 2.193747 3.569352 1.103106 2.821636 4.037772 3.807659 4.345912 2.255486 1.781425 0.000000 4.119082 4.966690 4.661978 6.345224 4.977261 5.980588 6.824185 7.138695 6.547451 6.645999 7.265019 7.741753 2.296537 3.044476 3.088075 1.547992 2.643520 4.064827 3.342197 2.632437 4.067735 3.487806 0.000000 2.833503 3.393978 3.517029 4.599867 3.443875 4.683627 5.297031 5.447228 4.553557 5.474168 5.967337 6.081809 2.222768 2.887604 3.574486 1.100268 3.542909 3.807416 2.600928 4.059111 4.364604 3.744843 2.249627 0.000000 2.798944 3.906164 2.838470 4.943359 4.366604 4.051344 5.117768 5.925879 5.061533 4.589373 5.715697 5.913894 2.190654 3.577483 2.781205 1.101708 4.061809 4.348341 3.795247 3.329733 3.755367 2.500019 2.244693 1.779595 0.000000 3.845403 4.651846 4.524949 6.111412 4.618297 5.842088 6.555585 6.766822 6.555608 6.576179 6.773176 7.580293 1.713069 2.187787 2.169177 2.179097 1.525181 3.011513 2.928131 1.520003 2.935817 2.974878 1.523172 3.003869 2.922005 0.000000 4.927571 5.198248 5.983756 6.726916 4.680130 7.240229 7.580402 7.144355 7.089452 8.144200 7.793767 8.588386 3.100169 2.250630 4.043366 3.521593 1.100226 3.031122 2.459122 3.531358 4.446634 4.988598 2.833657 3.736899 4.569626 2.218132 0.000000 4.823974 5.197560 5.778658 6.680629 4.839203 6.972719 7.307091 7.016962 7.295638 7.831478 7.277526 8.387492 3.026100 2.237738 3.324705 4.066138 1.100120 2.473820 3.049834 2.773267 3.384148 4.410871 3.551349 4.593397 4.932831 2.203388 1.782555 0.000000 4.854988 5.744579 5.262999 7.063884 5.864030 6.422236 7.176650 7.612680 7.759585 7.003144 7.081621 8.247487 3.102513 3.516061 2.248067 4.046224 2.814025 3.731326 4.560322 1.099885 2.475501 3.051448 3.530939 5.010171 4.413255 2.210647 3.717451 2.503727 0.000000 4.741029 5.879929 4.842028 7.120107 6.183661 6.036579 7.095449 7.880356 7.647819 6.456505 7.209593 8.081288 3.053261 4.084248 2.240832 3.344075 3.550160 4.609229 4.957552 1.099843 3.054626 2.481988 2.780467 4.430321 3.372216 2.206729 4.297906 3.743707 1.784447 0.000000 4.780119 5.416613 5.475347 6.822313 5.232021 6.774698 7.490181 7.555795 6.923453 7.500401 7.979744 8.380486 3.034175 3.338310 4.054201 2.238013 2.784193 4.425050 3.361905 3.541109 4.949463 4.539689 1.100166 2.472755 3.068965 2.202380 2.529981 3.753399 4.291471 3.747179 0.000000 4.826744 5.818859 5.118026 7.115344 5.951242 6.400969 7.423238 7.976484 7.300436 6.918173 7.872747 8.305768 3.109242 4.058769 3.500287 2.252237 3.541544 5.021602 4.429663 2.817631 4.557926 3.676626 1.100062 3.031232 2.484909 2.217498 3.739811 4.301898 3.728956 2.519038 1.783601 0.000000 C14H18 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;16;17;20;23;26;5;8;9;10;11;12;18;19;21;22;24;25;27;28;29;30;31;32/rA:32nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1971,.0776,.1218;1.8141,1.256,.0644;1.7498,-1.1321,.2284;3.3427,1.1521,.1246;1.3491,2.2442,.089;3.0455,-1.4073,.0872;3.9072,-.2065,-.3292;3.7995,1.9556,-.4738;3.6388,1.3483,1.1743;3.5083,-2.3968,.1617;3.9881,-.2215,-1.434;4.9344,-.3197,.0511;-.9346,.0585,.0092;-1.1923,1.5129,-.4538;-.9908,-1.0921,-1.0277;-1.1342,-.3043,1.5042;-2.7258,1.3513,-.5826;-.665,1.7635,-1.3864;-.8911,2.2423,.3128;-2.5314,-1.2409,-1.024;-.5603,-.7932,-1.996;-.4268,-1.9671,-.6628;-2.6806,-.343,1.4461;-.7085,.4472,2.186;-.6564,-1.2716,1.7275;-2.6413,-.0765,-.0531;-3.3259,2.0312,.0402;-3.1024,1.4079,-1.6147;-3.0208,-1.0657,-1.9933;-2.8979,-2.1946,-.6168;-3.1754,.4577,2.0157;-3.1412,-1.3019,1.7262; 1.5629656 0.4299450 0.4006256 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;16;17;20;23;26;5;8;9;10;11;12;18;19;21;22;24;25;27;28;29;30;31;32/rA:32nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1945,-.099,-.127;1.8127,-1.2654,.0475;1.7424,1.0985,-.3538;3.3408,-1.1666,-.0266;1.3487,-2.2514,.1261;3.0391,1.3828,-.236;3.9035,.2299,.2938;3.7991,-1.9092,.6449;3.6351,-1.4614,-1.0534;3.5015,2.3613,-.403;3.9858,.3515,1.3919;4.9301,.3073,-.097;-.9306,-.0681,-.0139;-1.2042,-1.5231,.433;-.9745,1.0719,1.037;-1.1304,.3162,-1.5031;-2.7392,-1.3565,.5357;-.6996,-1.7754,1.3777;-.8861,-2.2507,-.3287;-2.5147,1.2198,1.0565;-.5278,.7668,1.9958;-.4196,1.9509,.6671;-2.6749,.3984,-1.4384;-.7307,-.4422,-2.1931;-.6223,1.2705,-1.7174;-2.6362,.0861,.0508;-3.3267,-2.0112,-.125;-3.1416,-1.4466,1.5555;-2.9901,1.0093,2.0257;-2.8896,2.1856,.6875;-3.1975,-.3668,-2.0313;-3.1045,1.3808,-1.6843; 0.000000 1.331569 0.000000 1.336270 2.398739 0.000000 2.399294 1.533101 2.791577 0.000000 2.172748 1.092583 3.406953 2.273433 0.000000 2.368611 2.932121 1.332797 2.575720 4.024443 0.000000 2.761197 2.582249 2.417580 1.539299 3.565381 1.535296 0.000000 3.264527 2.171979 3.778137 1.101112 2.528027 3.491550 2.170203 0.000000 2.944696 2.138168 3.259662 1.108099 2.691242 3.018799 2.178883 1.763970 0.000000 3.384025 4.025918 2.166024 3.551614 5.117800 1.095083 2.278256 4.407312 3.880028 0.000000 3.209571 3.023897 2.939122 2.175492 3.915564 2.146995 1.107848 2.388246 3.064178 2.737810 0.000000 3.757791 3.494658 3.294509 2.168718 4.407186 2.179862 1.101201 2.596639 2.391684 2.520654 1.763699 0.000000 2.128283 2.993778 2.936155 4.410393 3.159400 4.232364 4.853038 5.118019 4.885454 5.069170 5.130561 5.873288 0.000000 2.845228 3.052261 4.021715 4.582020 2.672400 5.186291 5.401929 5.022643 5.062780 6.158832 5.600814 6.423457 1.546567 0.000000 2.725852 3.769623 3.052267 4.976319 4.155894 4.222118 5.005635 5.641658 5.660035 4.875508 5.024841 6.060937 1.551052 2.674285 0.000000 2.733332 3.683420 3.191494 4.936658 3.923392 4.486465 5.345742 5.819541 5.106139 5.181425 5.878566 6.221507 1.550927 2.671567 2.654705 0.000000 4.182593 4.578846 5.186756 6.108854 4.204688 6.441120 6.833768 6.562534 6.570213 7.324562 6.991067 7.873148 2.287610 1.547438 3.043430 3.089157 0.000000 2.943186 2.888119 4.149836 4.320620 2.447218 5.153332 5.136647 4.560035 4.979842 6.158999 5.145598 6.181164 2.214719 1.100274 2.880786 3.586026 2.245900 0.000000 2.999904 2.897571 4.257552 4.374167 2.280635 5.349629 5.429678 4.797525 4.646472 6.366117 5.785085 6.358119 2.205669 1.100294 3.593393 2.833364 2.231708 1.781116 0.000000 4.110669 5.091151 4.486208 6.415171 5.276417 5.704556 6.538735 7.058635 7.032816 6.295045 6.566754 7.588693 2.305112 3.103182 1.547404 3.046971 2.637933 3.516928 4.076137 0.000000 2.867451 3.661060 3.283955 4.774310 4.015855 4.252418 4.777176 5.263862 5.620725 4.952938 4.572634 5.863405 2.213236 2.853788 1.100941 3.578972 3.395733 2.621999 3.825895 2.244006 0.000000 2.727228 3.963723 2.538265 4.933600 4.591188 3.619525 4.668035 5.718264 5.571781 4.085129 4.742402 5.648406 2.191124 3.569225 1.103355 2.808426 4.041861 3.803808 4.343109 2.252926 1.783055 0.000000 4.115748 5.011458 4.602038 6.374282 5.065465 5.921595 6.804780 7.181852 6.589696 6.563000 7.237231 7.722968 2.299911 3.059057 3.077750 1.548053 2.642173 4.069131 3.383659 2.631457 4.066966 3.453956 0.000000 2.844755 3.488057 3.445675 4.668569 3.602152 4.623055 5.302115 5.543080 4.625822 5.382905 5.977207 6.082775 2.220053 2.879010 3.575619 1.100445 3.509399 3.811635 2.602025 4.062510 4.364618 3.742217 2.248582 0.000000 2.775840 3.933738 2.735032 4.950155 4.436977 3.951354 5.060706 5.936308 5.101914 4.463519 5.634383 5.863639 2.188318 3.573127 2.783952 1.102139 4.056955 4.343184 3.794293 3.358338 3.748486 2.487996 2.247599 1.780777 0.000000 3.839266 4.649617 4.512261 6.107353 4.620520 5.828649 6.545823 6.763721 6.553141 6.561541 6.761613 7.570996 1.713803 2.187813 2.169246 2.176013 1.525400 2.996032 2.944044 1.520289 2.948259 2.961537 1.522101 2.990795 2.930081 0.000000 4.908908 5.196060 5.951278 6.721482 4.688300 7.214919 7.581136 7.168031 7.044921 8.112952 7.832954 8.576185 3.086968 2.248259 4.048240 3.484188 1.100129 3.035617 2.460741 3.534681 4.477653 4.977608 2.820643 3.671175 4.540796 2.214989 0.000000 4.842408 5.181904 5.828947 6.678576 4.780629 7.029713 7.350965 7.015529 7.261621 7.903619 7.352530 8.423792 3.041757 2.240491 3.362757 4.062996 1.100083 2.470444 3.047018 2.784152 3.453335 4.443174 3.547635 4.568728 4.943890 2.206547 1.782478 0.000000 4.834616 5.670479 5.297792 7.001945 5.750363 6.450332 7.150496 7.517898 7.712296 7.061705 7.035456 8.229776 3.092324 3.484226 2.245952 4.048637 2.807167 3.663496 4.538472 1.099884 2.474489 3.056164 3.531641 5.000970 4.436907 2.208572 3.723172 2.505084 0.000000 4.750004 5.867729 4.870438 7.110920 6.161648 6.053691 7.080008 7.842752 7.674887 6.485823 7.150564 8.080312 3.067388 4.081739 2.242797 3.374667 3.548587 4.578462 4.972688 1.099811 3.050082 2.481223 2.785634 4.456913 3.429621 2.208549 4.297018 3.742996 1.784516 0.000000 4.794494 5.498229 5.418752 6.885319 5.373445 6.721570 7.495757 7.648131 6.988498 7.414169 7.989557 8.381740 3.049248 3.373907 4.052855 2.240135 2.789095 4.454724 3.433707 3.537984 4.962894 4.513255 1.100045 2.473215 3.067691 2.203444 2.520845 3.746262 4.289005 3.741852 0.000000 4.805769 5.846295 5.034014 7.125887 6.025005 6.311996 7.372193 7.994289 7.341535 6.800115 7.797003 8.259904 3.100794 4.065293 3.469476 2.250097 3.543200 5.012002 4.466092 2.808062 4.534259 3.614201 1.099952 3.035914 2.484877 2.214906 3.739757 4.300182 3.730237 2.513829 1.784072 0.000000 C14H18 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;16;17;20;23;26;5;8;9;10;11;12;18;19;21;22;24;25;27;28;29;30;31;32/rA:32nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1945,.0816,.1268;1.8142,1.2585,.0636;1.741,-1.1329,.2364;3.3423,1.151,.1245;1.3516,2.2482,.0811;3.0371,-1.4063,.0889;3.9022,-.209,-.3298;3.8004,1.954,-.4737;3.6393,1.3455,1.1742;3.4983,-2.397,.1602;3.9819,-.2248,-1.4346;4.9295,-.325,.0495;-.9308,.0645,.016;-1.203,1.5562,-.2886;-.9787,-.9692,-1.1394;-1.1281,-.4606,1.4619;-2.7385,1.4022,-.4034;-.7001,1.8973,-1.2058;-.8823,2.2068,.5387;-2.5192,-1.1124,-1.1695;-.5335,-.5741,-2.0655;-.4244,-1.8804,-.8568;-2.6729,-.5342,1.393;-.7258,.2275,2.2205;-.621,-1.4317,1.5825;-2.6368,-.0804,-.0594;-3.3236,1.9913,.3184;-3.143,1.5904,-1.409;-2.9963,-.8093,-2.113;-2.8948,-2.1088,-.8942;-3.193,.1713,2.0578;-3.1034,-1.535,1.5444; 1.5630493 0.4309939 0.4014386 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;16;17;20;23;26;5;8;9;10;11;12;18;19;21;22;24;25;27;28;29;30;31;32/rA:32nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1949,-.1067,-.1296;1.8169,-1.2656,.0788;1.7435,1.0843,-.3895;3.3448,-1.1659,.0012;1.3572,-2.2506,.1868;3.0391,1.3755,-.2791;3.9056,.2395,.2827;3.8049,-1.8891,.6923;3.6392,-1.488,-1.0174;3.4989,2.3503,-.4723;3.9879,.3921,1.3769;4.9319,.3078,-.1105;-.9322,-.0698,-.0158;-1.2091,-1.5272,.4242;-.9719,1.063,1.0428;-1.132,.3238,-1.5023;-2.7452,-1.3619,.5121;-.716,-1.7789,1.375;-.8815,-2.2549,-.333;-2.5127,1.2048,1.0733;-.5166,.7546,1.9964;-.4259,1.9483,.6757;-2.6754,.4222,-1.4344;-.7424,-.4369,-2.1956;-.6135,1.273,-1.715;-2.6383,.0874,.0496;-3.3229,-2.0061,-.1672;-3.1613,-1.4692,1.5248;-2.9806,.9751,2.0419;-2.8943,2.1756,.7245;-3.2086,-.3263,-2.039;-3.0922,1.4139,-1.6637; 0.000000 1.331691 0.000000 1.336748 2.397231 0.000000 2.400232 1.533127 2.789316 0.000000 2.173208 1.092341 3.406299 2.271926 0.000000 2.370707 2.932095 1.332553 2.574987 4.024217 0.000000 2.763596 2.582541 2.416619 1.539139 3.564281 1.535119 0.000000 3.265683 2.171931 3.776383 1.101102 2.525334 3.491083 2.170075 0.000000 2.944597 2.138189 3.256464 1.108089 2.690603 3.017377 2.178401 1.763938 0.000000 3.385689 4.025915 2.165949 3.551326 5.117627 1.095048 2.278340 4.407174 3.879372 0.000000 3.212305 3.024233 2.938817 2.175628 3.914106 2.146939 1.107848 2.388724 3.064091 2.737406 0.000000 3.759948 3.494944 3.293448 2.168664 4.405937 2.179658 1.101198 2.596393 2.391289 2.521169 1.763711 0.000000 2.130456 2.999401 2.937801 4.415252 3.168326 4.234303 4.856798 5.123603 4.889992 5.069520 5.134174 5.876983 0.000000 2.846694 3.056870 4.024841 4.587774 2.676884 5.192987 5.413037 5.034197 5.058247 6.164736 5.621341 6.431550 1.547295 0.000000 2.727307 3.758956 3.070094 4.968673 4.139809 4.234799 5.004593 5.626410 5.658176 4.892965 5.016122 6.062660 1.551014 2.673596 0.000000 2.735668 3.704324 3.175626 4.951902 3.959413 4.472149 5.345072 5.838334 5.126604 5.158737 5.874248 6.221550 1.550604 2.672688 2.655061 0.000000 4.184686 4.583646 5.190804 6.114549 4.210164 6.448019 6.844666 6.573750 6.566278 7.330621 7.011270 7.881180 2.288018 1.547461 3.050584 3.082476 0.000000 2.951570 2.891249 4.166576 4.330538 2.435670 5.175610 5.160057 4.573496 4.977570 6.182933 5.180689 6.201612 2.214059 1.100257 2.872723 3.587908 2.244112 0.000000 2.994613 2.903408 4.247811 4.377159 2.298299 5.343585 5.432993 4.811190 4.636114 6.357345 5.800091 6.357101 2.208586 1.100136 3.593046 2.842502 2.232752 1.780813 0.000000 4.112663 5.083134 4.502194 6.409449 5.263337 5.716737 6.538454 7.044892 7.033424 6.311958 6.558234 7.591355 2.304177 3.095937 1.547600 3.052277 2.637602 3.496006 4.075397 0.000000 2.862016 3.633694 3.302928 4.751823 3.977038 4.266900 4.770496 5.231179 5.602042 4.976475 4.561295 5.858745 2.213906 2.856176 1.100849 3.578389 3.413039 2.616177 3.823141 2.244848 0.000000 2.738352 3.964292 2.566593 4.936739 4.587933 3.639504 4.672861 5.711877 5.585661 4.108967 4.732282 5.658191 2.192554 3.571461 1.102964 2.807323 4.045088 3.803281 4.346496 2.250701 1.782501 0.000000 4.118449 5.031853 4.588742 6.389540 5.102413 5.907560 6.803737 7.201373 6.610392 6.539526 7.232111 7.722487 2.300733 3.066677 3.073934 1.548050 2.641355 4.071482 3.405617 2.632085 4.067122 3.441221 0.000000 2.851423 3.522773 3.428645 4.697124 3.657076 4.610633 5.310677 5.579192 4.657456 5.359802 5.985446 6.090994 2.218606 2.875706 3.576281 1.100541 3.492608 3.814557 2.606483 4.063907 4.363895 3.746188 2.248077 0.000000 2.772644 3.945811 2.710722 4.956021 4.462828 3.926107 5.047870 5.942807 5.118161 4.429127 5.613266 5.853013 2.189065 3.573761 2.788936 1.102254 4.055429 4.344287 3.798414 3.374405 3.748727 2.491392 2.248085 1.780817 0.000000 3.842348 4.656262 4.515179 6.113211 4.631371 5.831007 6.549813 6.770164 6.559574 6.561940 6.764692 7.575135 1.714636 2.188563 2.171462 2.175607 1.524992 2.989160 2.952841 1.520722 2.955840 2.958026 1.521768 2.985001 2.935882 0.000000 4.901037 5.198766 5.938708 6.722627 4.699935 7.205777 7.582654 7.180462 7.033024 8.099944 7.847504 8.573211 3.080216 2.246662 4.051005 3.465713 1.100129 3.037457 2.459719 3.536275 4.491963 4.973949 2.814539 3.638110 4.526469 2.213169 0.000000 4.854884 5.187959 5.851600 6.689017 4.776798 7.056253 7.375822 7.028318 7.260174 7.933156 7.388926 8.445795 3.049684 2.241837 3.381934 4.061532 1.100098 2.469367 3.044087 2.788316 3.487340 4.458920 3.545479 4.556088 4.950451 2.207382 1.782499 0.000000 4.829227 5.647268 5.314244 6.982873 5.715245 6.464122 7.145350 7.487953 7.697347 7.084992 7.024427 8.227203 3.085850 3.466560 2.245192 4.050050 2.803063 3.627428 4.525493 1.099927 2.474333 3.056180 3.533233 4.995999 4.450456 2.207851 3.726213 2.504893 0.000000 4.760318 5.869844 4.892994 7.114506 6.160883 6.070687 7.083934 7.836013 7.690493 6.506637 7.139409 8.089244 3.072499 4.079329 2.243813 3.390238 3.546980 4.561417 4.979934 1.099850 3.048056 2.479373 2.789902 4.470266 3.459529 2.209497 4.297122 3.741126 1.784387 0.000000 4.804699 5.533856 5.406818 6.914848 5.431810 6.710263 7.504799 7.687156 7.020430 7.389845 7.998360 8.389833 3.056346 3.392271 4.053444 2.241258 2.792023 4.469747 3.470677 3.537689 4.969878 4.504112 1.100028 2.473644 3.065476 2.204205 2.517611 3.742885 4.289443 3.741047 0.000000 4.800562 5.857994 5.011607 7.131843 6.054023 6.285868 7.357762 8.001979 7.358770 6.763087 7.772838 8.247580 3.095618 4.068839 3.455972 2.248793 3.543939 5.007419 4.485377 2.805484 4.523808 3.587172 1.099931 3.038128 2.483248 2.213830 3.740186 4.299232 3.733121 2.514533 1.784033 0.000000 C14H18 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;16;17;20;23;26;5;8;9;10;11;12;18;19;21;22;24;25;27;28;29;30;31;32/rA:32nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1951,.0848,.1296;1.8183,1.2598,.064;1.7425,-1.1298,.239;3.3462,1.1495,.1243;1.3598,2.2512,.0796;3.0374,-1.4067,.0897;3.9041,-.2111,-.3301;3.8055,1.952,-.4737;3.6439,1.3431,1.1739;3.4963,-2.3985,.1598;3.9831,-.2276,-1.435;4.9314,-.3286,.0487;-.9324,.0647,.0183;-1.2083,1.5655,-.2377;-.9767,-.9289,-1.1719;-1.1287,-.5091,1.4454;-2.7449,1.4141,-.3409;-.7174,1.9321,-1.1516;-.8775,2.1939,.6025;-2.5178,-1.064,-1.2152;-.5235,-.5056,-2.0815;-.431,-1.8532,-.9184;-2.6724,-.5966,1.3704;-.7361,.1598,2.2262;-.6111,-1.4779,1.5379;-2.6389,-.0813,-.0611;-3.3198,1.9702,.4143;-3.1636,1.646,-1.3315;-2.988,-.716,-2.1467;-2.8999,-2.07,-.9878;-3.2029,.0722,2.0643;-3.0901,-1.6086,1.4768; 1.5631223 0.4304035 0.4009589 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;16;17;20;23;26;5;8;9;10;11;12;18;19;21;22;24;25;27;28;29;30;31;32/rA:32nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1947,-.108,-.1295;1.817,-1.2652,.0873;1.7424,1.0814,-.3979;3.3448,-1.1655,.0081;1.3574,-2.2494,.2031;3.038,1.3738,-.2899;3.9052,.2422,.2791;3.8056,-1.8836,.7041;3.6387,-1.4947,-1.0083;3.4972,2.3476,-.4896;3.9885,.4025,1.3722;4.9312,.308,-.1154;-.9322,-.0709,-.0159;-1.2101,-1.5287,.4216;-.971,1.0603,1.0445;-1.1313,.3256,-1.5016;-2.7464,-1.3632,.5063;-.7197,-1.7811,1.3737;-.8804,-2.256,-.3351;-2.5118,1.2012,1.0773;-.5139,.751,1.997;-.4262,1.9463,.6776;-2.6745,.4281,-1.4335;-.7441,-.4354,-2.196;-.6097,1.2734,-1.7131;-2.6381,.0877,.0492;-3.3222,-2.0046,-.1773;-3.1655,-1.4744,1.5174;-2.9783,.9668,2.0454;-2.8947,2.1732,.7333;-3.2101,-.3162,-2.041;-3.0882,1.4221,-1.6587; 0.000000 1.331632 0.000000 1.336723 2.397411 0.000000 2.400046 1.533152 2.789488 0.000000 2.173094 1.092312 3.406380 2.272104 0.000000 2.370515 2.932138 1.332573 2.575053 4.024237 0.000000 2.763483 2.582602 2.416775 1.539146 3.564373 1.535114 0.000000 3.265613 2.171961 3.776573 1.101098 2.525504 3.491106 2.170096 0.000000 2.944245 2.138200 3.256571 1.108084 2.690940 3.017515 2.178344 1.763933 0.000000 3.385531 4.025993 2.165938 3.551452 5.117695 1.095057 2.278253 4.407174 3.879751 0.000000 3.212609 3.024488 2.939195 2.175679 3.914283 2.146885 1.107853 2.388735 3.064046 2.736943 0.000000 3.759679 3.494947 3.293470 2.168650 4.406061 2.179656 1.101201 2.596475 2.391122 2.521215 1.763689 0.000000 2.130179 2.999129 2.937111 4.414893 3.167994 4.233666 4.856496 5.123533 4.889283 5.068819 5.134537 5.876459 0.000000 2.846921 3.056849 4.025101 4.588053 2.675706 5.193936 5.415087 5.036145 5.055387 6.165669 5.626586 6.432566 1.547290 0.000000 2.726424 3.754565 3.073004 4.965323 4.133207 4.236840 5.003302 5.621192 5.656115 4.896550 5.013612 6.062004 1.550991 2.673588 0.000000 2.735148 3.707796 3.169762 4.953613 3.966166 4.466516 5.342740 5.841119 5.129336 5.151302 5.871672 6.219017 1.550525 2.672775 2.654888 0.000000 4.184669 4.583574 5.190612 6.114724 4.209339 6.448542 6.846377 6.575552 6.563592 7.331087 7.016100 7.881943 2.287864 1.547475 3.052028 3.080988 0.000000 2.953489 2.890557 4.170579 4.331722 2.429826 5.180771 5.165403 4.575667 4.975081 6.188718 5.189874 6.205986 2.213808 1.100262 2.871335 3.588157 2.243738 0.000000 2.993648 2.904462 4.245137 4.377151 2.301655 5.341453 5.433276 4.814248 4.631977 6.354598 5.804172 6.355886 2.208948 1.100121 3.592950 2.844047 2.233138 1.780806 0.000000 4.111991 5.079517 4.504276 6.406600 5.257558 5.718308 6.537250 7.040213 7.031844 6.314930 6.555803 7.590750 2.304049 3.094655 1.547594 3.053424 2.637667 3.491910 4.075381 0.000000 2.859922 3.625586 3.306880 4.745352 3.965144 4.270078 4.768542 5.222108 5.596379 4.982165 4.558861 5.857320 2.214152 2.857231 1.100833 3.578104 3.417030 2.615761 3.822987 2.245061 0.000000 2.738355 3.961495 2.570416 4.934716 4.583633 3.641962 4.671609 5.707542 5.586212 4.112981 4.728059 5.658145 2.192195 3.571494 1.102950 2.805815 4.045401 3.803097 4.346362 2.250516 1.782510 0.000000 4.118033 5.035194 4.583411 6.391366 5.109172 5.902041 6.801497 7.204467 6.613205 6.531870 7.229593 7.720006 2.300881 3.068389 3.072793 1.548077 2.641373 4.072068 3.410237 2.632141 4.067041 3.437465 0.000000 2.852479 3.530047 3.422961 4.702174 3.669125 4.605521 5.310557 5.586373 4.662835 5.352213 5.985921 6.090248 2.218306 2.874767 3.576267 1.100567 3.488866 3.814934 2.606911 4.064208 4.363727 3.745789 2.247974 0.000000 2.769882 3.946524 2.701669 4.954729 4.466729 3.916805 5.041588 5.941777 5.119456 4.417915 5.605413 5.846972 2.188915 3.573443 2.789351 1.102305 4.054975 4.343963 3.798566 3.377774 3.747950 2.490305 2.248520 1.780875 0.000000 3.841909 4.656088 4.513950 6.112871 4.631380 5.829814 6.549203 6.770195 6.559004 6.560489 6.764665 7.574319 1.714519 2.188730 2.171611 2.175338 1.525030 2.987745 2.954646 1.520842 2.957424 2.956665 1.521691 2.983545 2.936981 0.000000 4.899146 5.198850 5.934837 6.722202 4.701483 7.202668 7.582395 7.183110 7.028904 8.095963 7.851203 8.571554 3.078619 2.246375 4.051487 3.461815 1.100124 3.037862 2.459811 3.536658 4.495295 4.972653 2.813515 3.631005 4.523488 2.212896 0.000000 4.856921 5.187790 5.855516 6.690054 4.773303 7.061225 7.380697 7.030212 7.257830 7.938989 7.397479 8.449806 3.051010 2.242089 3.385832 4.061076 1.100100 2.469095 3.043666 2.789255 3.494764 4.462069 3.545176 4.553164 4.951588 2.207666 1.782527 0.000000 4.826946 5.640112 5.316733 6.977070 5.704136 6.466445 7.143423 7.479651 7.692189 7.089848 7.021954 8.225837 3.084300 3.462841 2.244953 4.050238 2.802132 3.619899 4.522726 1.099928 2.474325 3.056755 3.533486 4.994777 4.453163 2.207669 3.726700 2.504753 0.000000 4.761412 5.868491 4.896267 7.113628 6.157974 6.073046 7.083355 7.832714 7.692321 6.510169 7.135877 8.089744 3.073853 4.079111 2.244088 3.393814 3.546801 4.558149 4.981634 1.099856 3.047572 2.479519 2.790845 4.473322 3.466300 2.209837 4.297224 3.740774 1.784376 0.000000 4.806153 5.540888 5.401840 6.920014 5.443819 6.705269 7.504839 7.694908 7.025751 7.381790 7.999083 8.389178 3.057789 3.396267 4.053270 2.241475 2.792877 4.473016 3.478547 3.537549 4.971356 4.501089 1.100024 2.473671 3.065336 2.204387 2.517311 3.742411 4.289455 3.740839 0.000000 4.798171 5.859205 5.003954 7.131398 6.058810 6.277366 7.352217 8.002118 7.360814 6.752087 7.765572 8.242180 3.094487 4.069657 3.452653 2.248597 3.544296 5.006500 4.489381 2.804763 4.521242 3.580376 1.099924 3.038674 2.483457 2.213629 3.740555 4.299215 3.733640 2.514631 1.784051 0.000000 C14H18 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;16;17;20;23;26;5;8;9;10;11;12;18;19;21;22;24;25;27;28;29;30;31;32/rA:32nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1949,.0852,.1296;1.8181,1.2602,.0635;1.7417,-1.1296,.239;3.3461,1.1495,.1243;1.3596,2.2515,.0784;3.0366,-1.4067,.0898;3.9038,-.2114,-.3296;3.8058,1.9517,-.4736;3.6434,1.3431,1.1741;3.4951,-2.3987,.1595;3.9836,-.228,-1.4344;4.9308,-.3291,.0499;-.9323,.0652,.0187;-1.2095,1.568,-.2242;-.9758,-.918,-1.18;-1.1276,-.5213,1.4407;-2.7463,1.4164,-.325;-.7216,1.9417,-1.1368;-.8766,2.1901,.6198;-2.5169,-1.0519,-1.2261;-.5211,-.4877,-2.0855;-.4311,-1.8448,-.9333;-2.6711,-.6125,1.3645;-.7374,.1424,2.2271;-.6068,-1.4891,1.5252;-2.6386,-.0818,-.0612;-3.3192,1.9638,.4381;-3.1681,1.6589,-1.3117;-2.9859,-.6929,-2.154;-2.9001,-2.0601,-1.0106;-3.2039,.0468,2.0656;-3.0855,-1.627,1.4595; 1.5631369 0.4305008 0.4010317 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;16;17;20;23;26;5;8;9;10;11;12;18;19;21;22;24;25;27;28;29;30;31;32/rA:32nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1946,-.1099,-.1303;1.8172,-1.2646,.0981;1.7419,1.0771,-.4103;3.3451,-1.1651,.0181;1.3581,-2.2477,.2236;3.0373,1.371,-.305;3.905,.2454,.2752;3.806,-1.8761,.7213;3.6393,-1.5043,-.9949;3.4963,2.3431,-.5141;3.9882,.4166,1.3666;4.931,.3076,-.12;-.9323,-.0717,-.0166;-1.2111,-1.5303,.4176;-.9699,1.0567,1.047;-1.1313,.3289,-1.5011;-2.7476,-1.3652,.4988;-.7236,-1.7834,1.371;-.8787,-2.2567,-.3388;-2.5107,1.1963,1.0826;-.5106,.7457,1.9978;-.4269,1.9442,.6811;-2.6742,.4357,-1.432;-.7469,-.432,-2.1972;-.6066,1.2754,-1.7107;-2.6381,.0879,.0489;-3.3211,-2.003,-.19;-3.1701,-1.4818,1.5079;-2.9754,.9562,2.0503;-2.8951,2.1698,.7447;-3.2125,-.3037,-2.0432;-3.0845,1.4322,-1.6518; 0.000000 1.331627 0.000000 1.336751 2.397422 0.000000 2.400059 1.533163 2.789496 0.000000 2.173092 1.092310 3.406403 2.272101 0.000000 2.370553 2.932159 1.332567 2.575080 4.024259 0.000000 2.763545 2.582633 2.416780 1.539147 3.564387 1.535109 0.000000 3.265607 2.171945 3.776545 1.101098 2.525462 3.491094 2.170091 0.000000 2.944273 2.138220 3.256662 1.108079 2.690947 3.017643 2.178347 1.763922 0.000000 3.385562 4.026022 2.165927 3.551508 5.117727 1.095057 2.278238 4.407174 3.879970 0.000000 3.212807 3.024606 2.939270 2.175693 3.914368 2.146858 1.107851 2.388692 3.064028 2.736789 0.000000 3.759686 3.494952 3.293430 2.168650 4.406059 2.179641 1.101202 2.596540 2.391069 2.521240 1.763680 0.000000 2.130217 2.999341 2.936980 4.415045 3.168380 4.233502 4.856432 5.123598 4.889680 5.068568 5.134411 5.876416 0.000000 2.846972 3.056762 4.025479 4.588259 2.674546 5.195157 5.417396 5.038153 5.051984 6.166905 5.632373 6.433705 1.547245 0.000000 2.726108 3.749222 3.078574 4.961225 4.125105 4.240798 5.001835 5.613889 5.654425 4.902847 5.009394 6.061585 1.551023 2.673371 0.000000 2.735172 3.713553 3.163060 4.957628 3.976235 4.460339 5.341038 5.846165 5.135720 5.142530 5.868578 6.217658 1.550445 2.672920 2.654863 0.000000 4.184771 4.583532 5.191027 6.114920 4.208519 6.449705 6.848443 6.577237 6.560749 7.332311 7.021274 7.883017 2.287833 1.547483 3.053852 3.079269 0.000000 2.955351 2.888859 4.175444 4.332095 2.421915 5.186941 5.171165 4.576881 4.970956 6.195862 5.200104 6.210475 2.213343 1.100265 2.869120 3.588423 2.243237 0.000000 2.991774 2.905747 4.241099 4.377150 2.306430 5.338275 5.433342 4.818184 4.626975 6.350503 5.808719 6.354222 2.209311 1.100131 3.592651 2.846041 2.233692 1.780830 0.000000 4.111771 5.075112 4.508641 6.403137 5.250445 5.721651 6.535906 7.033548 7.030834 6.320487 6.551664 7.590461 2.303814 3.092860 1.547587 3.054654 2.637784 3.486501 4.075200 0.000000 2.858083 3.615123 3.313988 4.736749 3.949758 4.275720 4.766065 5.209215 5.589346 4.991594 4.554742 5.855568 2.214420 2.857990 1.100810 3.577904 3.421525 2.614351 3.822269 2.245248 0.000000 2.739894 3.958870 2.578138 4.933111 4.579086 3.647212 4.670830 5.702080 5.588903 4.120555 4.721931 5.659270 2.192242 3.571678 1.102883 2.804895 4.046063 3.802537 4.346496 2.250075 1.782464 0.000000 4.118151 5.040345 4.577878 6.395079 5.118682 5.896338 6.799746 7.209261 6.619289 6.523428 7.226284 7.718571 2.301102 3.070316 3.071700 1.548122 2.641296 4.072553 3.415821 2.632194 4.067017 3.433776 0.000000 2.853972 3.540708 3.415362 4.710589 3.686215 4.599171 5.311507 5.597504 4.672726 5.342154 5.986801 6.091020 2.217997 2.873900 3.576400 1.100595 3.484598 3.815623 2.607811 4.064482 4.363633 3.746146 2.247879 0.000000 2.767770 3.949430 2.691750 4.955834 4.473656 3.906833 5.035770 5.942799 5.125102 4.405107 5.596295 5.842197 2.188769 3.573137 2.790040 1.102361 4.054450 4.343580 3.798932 3.381524 3.747356 2.490008 2.248972 1.780923 0.000000 3.841915 4.656344 4.513689 6.113036 4.631958 5.829416 6.548885 6.770157 6.559740 6.559929 6.763970 7.574119 1.714497 2.188802 2.171983 2.175055 1.525060 2.985780 2.956838 1.520974 2.959241 2.955447 1.521582 2.981929 2.938239 0.000000 4.896807 5.199148 5.930383 6.721889 4.703837 7.199123 7.582109 7.186244 7.024529 8.091335 7.855121 8.569771 3.076780 2.246043 4.052147 3.457120 1.100119 3.038402 2.460069 3.537183 4.498983 4.971459 2.812122 3.622624 4.519837 2.212554 0.000000 4.859592 5.187285 5.861254 6.690803 4.768685 7.068004 7.386400 7.031291 7.254780 7.947148 7.407004 8.454496 3.052855 2.242422 3.390699 4.060642 1.100103 2.468758 3.043210 2.790600 3.503459 4.466035 3.544746 4.549895 4.953029 2.208049 1.782527 0.000000 4.824925 5.631345 5.321803 6.969779 5.690408 6.470873 7.141143 7.468224 7.686430 7.097988 7.017805 8.224417 3.082618 3.458440 2.244728 4.050461 2.801289 3.610708 4.519536 1.099937 2.474308 3.057032 3.533766 4.993429 4.456215 2.207512 3.727576 2.505082 0.000000 4.763234 5.866841 4.902043 7.112671 6.154370 6.077362 7.082796 7.827810 7.695753 6.516479 7.130243 8.090949 3.075173 4.078486 2.244340 3.397620 3.546571 4.553662 4.983385 1.099862 3.047029 2.479305 2.791759 4.476541 3.473681 2.210113 4.297362 3.740579 1.784338 0.000000 4.808198 5.550388 5.396192 6.927700 5.459656 6.699768 7.505688 7.705446 7.034754 7.372317 7.999677 8.389803 3.059480 3.400841 4.053248 2.241733 2.793680 4.476666 3.487955 3.537381 4.973034 4.498230 1.100016 2.473739 3.065129 2.204552 2.516649 3.741613 4.289474 3.740481 0.000000 4.796220 5.861954 4.996177 7.132661 6.065987 6.268594 7.346821 8.003485 7.366471 6.740245 7.756631 8.237695 3.093236 4.070530 3.449104 2.248375 3.544623 5.005180 4.494226 2.803983 4.518460 3.573168 1.099917 3.039289 2.483613 2.213390 3.740799 4.299141 3.734195 2.514639 1.784077 0.000000 C14H18 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;16;17;20;23;26;5;8;9;10;11;12;18;19;21;22;24;25;27;28;29;30;31;32/rA:32nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1949,.0856,.1305;1.8183,1.2604,.0639;1.7415,-1.1294,.2398;3.3463,1.1494,.1241;1.36,2.2518,.0787;3.0363,-1.4067,.0901;3.9035,-.2117,-.3297;3.8058,1.9514,-.4743;3.6441,1.3433,1.1736;3.4946,-2.3988,.1596;3.983,-.2286,-1.4346;4.9307,-.3295,.0495;-.9324,.0654,.0196;-1.2107,1.5707,-.2053;-.9748,-.903,-1.1913;-1.1272,-.5387,1.4341;-2.7477,1.4198,-.3038;-.7259,1.9543,-1.1155;-.875,2.1838,.6442;-2.5159,-1.0349,-1.241;-.5181,-.4624,-2.0908;-.4318,-1.8334,-.955;-2.6705,-.6335,1.3558;-.7397,.1169,2.2286;-.6031,-1.5057,1.5074;-2.6386,-.082,-.062;-3.3182,1.9554,.4694;-3.1731,1.6768,-1.2852;-2.9833,-.6614,-2.164;-2.9005,-2.0458,-1.0414;-3.2059,.0135,2.0662;-3.0814,-1.6507,1.4354; 1.5631067 0.4305188 0.4010453 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;16;17;20;23;26;5;8;9;10;11;12;18;19;21;22;24;25;27;28;29;30;31;32/rA:32nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1942,-.1162,-.134;1.8179,-1.2612,.1365;1.7406,1.0607,-.4557;3.3457,-1.1632,.0545;1.3594,-2.2397,.2971;3.0357,1.3596,-.3597;3.904,.2562,.2609;3.8064,-1.8477,.7835;3.6414,-1.5387,-.9452;3.4937,2.3241,-.6026;3.9864,.4667,1.3455;4.9302,.3053,-.1356;-.9326,-.0742,-.019;-1.2142,-1.5357,.403;-.9659,1.0439,1.0555;-1.1318,.341,-1.4992;-2.7515,-1.3722,.4717;-.7372,-1.7912,1.361;-.8715,-2.2587,-.3523;-2.507,1.1781,1.1019;-.4988,.7267,2.0004;-.4301,1.9373,.6942;-2.6736,.4628,-1.4259;-.7573,-.4188,-2.202;-.5961,1.2831,-1.7022;-2.6379,.0886,.0481;-3.3161,-1.9969,-.2361;-3.1859,-1.5085,1.4732;-2.9648,.9169,2.0674;-2.8973,2.1566,.786;-3.2215,-.2586,-2.0499;-3.0722,1.4682,-1.6263; 0.000000 1.331623 0.000000 1.336834 2.397512 0.000000 2.400116 1.533186 2.789650 0.000000 2.173054 1.092353 3.406505 2.272214 0.000000 2.370617 2.932227 1.332553 2.575247 4.024374 0.000000 2.763640 2.582675 2.416807 1.539169 3.564501 1.535111 0.000000 3.265546 2.171876 3.776526 1.101100 2.525505 3.491099 2.170073 0.000000 2.944502 2.138312 3.257219 1.108062 2.691066 3.018233 2.178431 1.763882 0.000000 3.385618 4.026111 2.165898 3.551743 5.117871 1.095057 2.278210 4.407202 3.880806 0.000000 3.213247 3.024879 2.939442 2.175720 3.914667 2.146767 1.107841 2.388480 3.063991 2.736352 0.000000 3.759640 3.494935 3.293339 2.168669 4.406162 2.179599 1.101203 2.596774 2.390985 2.521297 1.763651 0.000000 2.130372 2.999730 2.936839 4.415355 3.168993 4.233123 4.855998 5.123299 4.891229 5.068049 5.133337 5.876214 0.000000 2.846702 3.056060 4.026097 4.588316 2.670230 5.198610 5.424664 5.044666 5.039242 6.170382 5.651878 6.436784 1.547029 0.000000 2.725334 3.729348 3.099944 4.946100 4.094473 4.256249 4.996848 5.586718 5.648067 4.927166 4.994277 6.060409 1.551169 2.672462 0.000000 2.735560 3.734122 3.139732 4.972423 4.011606 4.438926 5.335271 5.864149 5.159852 5.111961 5.856973 6.213560 1.550181 2.673452 2.654873 0.000000 4.184851 4.582955 5.192114 6.115012 4.205056 6.453293 6.855049 6.582520 6.550120 7.336163 7.038727 7.886087 2.287743 1.547508 3.060490 3.072960 0.000000 2.961610 2.882424 4.192054 4.332585 2.393480 5.207955 5.190646 4.580504 4.955198 6.220310 5.235511 6.225274 2.211517 1.100272 2.860750 3.589312 2.241379 0.000000 2.984112 2.909724 4.225171 4.376121 2.323591 5.325199 5.431970 4.831377 4.608267 6.334005 5.823158 6.346673 2.210540 1.100206 3.591373 2.853361 2.235855 1.780949 0.000000 4.111169 5.058310 4.525711 6.390040 5.222821 5.735019 6.531311 7.008297 7.026668 6.342491 6.536757 7.589751 2.302899 3.086183 1.547560 3.058983 2.638320 3.466449 4.074366 0.000000 2.851777 3.576694 3.340481 4.705147 3.892765 4.296872 4.757287 5.161727 5.563245 5.026677 4.540187 5.849247 2.215342 2.860411 1.100724 3.577237 3.437533 2.608769 3.819190 2.245858 0.000000 2.746205 3.949102 2.608253 4.927425 4.561532 3.668316 4.668924 5.681843 5.598926 4.150667 4.700272 5.664360 2.192616 3.572330 1.102637 2.802059 4.048579 3.800151 4.346974 2.248543 1.782265 0.000000 4.118750 5.058325 4.558957 6.408370 5.151422 5.876790 6.793596 7.225718 6.641984 6.494442 7.213580 7.714039 2.301889 3.077164 3.067809 1.548276 2.640932 4.073992 3.436066 2.632349 4.066816 3.420842 0.000000 2.859468 3.579114 3.387985 4.741385 3.747190 4.576428 5.315071 5.637673 4.709835 5.305954 5.989290 6.094410 2.216927 2.870896 3.576967 1.100693 3.469056 3.818221 2.611421 4.065331 4.363369 3.747850 2.247543 0.000000 2.760864 3.960014 2.657747 4.960643 4.497864 3.872734 5.015922 5.946703 5.147038 4.361137 5.563622 5.826641 2.188268 3.572017 2.792673 1.102552 4.052407 4.342163 3.800260 3.394888 3.745400 2.489624 2.250553 1.781077 0.000000 3.841956 4.656611 4.513395 6.113184 4.632671 5.828534 6.547574 6.769070 6.562365 6.558836 6.760770 7.573435 1.714386 2.188932 2.173325 2.173972 1.525196 2.978329 2.964791 1.521427 2.965596 2.951238 1.521181 2.976039 2.942664 0.000000 4.887811 5.199797 5.913374 6.720083 4.712108 7.185174 7.579852 7.196730 7.008538 8.073385 7.867504 8.562215 3.070007 2.244866 4.054456 3.439849 1.100102 3.040418 2.461319 3.539161 4.511929 4.967168 2.806918 3.591983 4.506234 2.211327 0.000000 4.869051 5.185161 5.881549 6.692870 4.751660 7.091839 7.406179 7.034498 7.243064 7.975964 7.440445 8.470509 3.059640 2.243661 3.408504 4.059000 1.100114 2.467597 3.041643 2.795837 3.534820 4.480538 3.543117 4.537903 4.958156 2.209532 1.782499 0.000000 4.817769 5.598763 5.341089 6.942674 5.638866 6.487840 7.133017 7.425686 7.664667 7.128883 7.003015 8.219315 3.076546 3.442433 2.243925 4.051160 2.798518 3.577070 4.507861 1.099973 2.474200 3.057959 3.534736 4.988438 4.467012 2.206968 3.730994 2.506969 0.000000 4.770046 5.859772 4.924808 7.108594 6.138946 6.094992 7.081379 7.808700 7.707646 6.542330 7.110177 8.096093 3.079767 4.075937 2.245234 3.411095 3.545794 4.536824 4.989431 1.099886 3.045087 2.478635 2.794951 4.487827 3.499972 2.211049 4.297927 3.740181 1.784198 0.000000 4.815538 5.584000 5.376318 6.955210 5.515241 6.680381 7.508530 7.742472 7.068121 7.338869 8.000516 8.392370 3.065522 3.417200 4.053142 2.242656 2.796413 4.489470 3.522044 3.536721 4.978841 4.488186 1.099983 2.474032 3.064346 2.205123 2.514093 3.738455 4.289524 3.739076 0.000000 4.789514 5.871108 4.969889 7.137122 6.089870 6.238782 7.327902 8.007383 7.387661 6.700146 7.723852 8.222656 3.088693 4.073512 3.436352 2.247571 3.545729 4.999992 4.511681 2.801171 4.508322 3.547573 1.099893 3.041491 2.484161 2.212527 3.741494 4.298879 3.736125 2.514690 1.784186 0.000000 C14H18 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;16;17;20;23;26;5;8;9;10;11;12;18;19;21;22;24;25;27;28;29;30;31;32/rA:32nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1947,.0863,.1346;1.8184,1.2608,.0656;1.7412,-1.1289,.2434;3.3465,1.1494,.123;1.3604,2.2523,.0804;3.0356,-1.4068,.0914;3.9025,-.2122,-.3305;3.805,1.9507,-.4771;3.6465,1.3445,1.1717;3.4936,-2.3991,.1602;3.9804,-.2301,-1.4355;4.9302,-.3302,.0472;-.9326,.0657,.0227;-1.2143,1.5785,-.1364;-.9714,-.8475,-1.2306;-1.1264,-.6017,1.4084;-2.7521,1.43,-.2263;-.7409,1.9974,-1.0369;-.8679,2.1583,.7322;-2.5127,-.971,-1.2933;-.5076,-.3702,-2.1074;-.435,-1.7905,-1.0331;-2.6685,-.7083,1.3212;-.7483,.0236,2.2315;-.5908,-1.5649,1.4414;-2.6384,-.0823,-.0648;-3.3133,1.9217,.5821;-3.1904,1.7393,-1.1868;-2.974,-.5451,-2.1965;-2.9028,-1.9896,-1.1516;-3.2132,-.1069,2.0639;-3.0674,-1.7331,1.3445; 1.5629552 0.4305896 0.4011038 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;16;17;20;23;26;5;8;9;10;11;12;18;19;21;22;24;25;27;28;29;30;31;32/rA:32nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1943,-.1144,-.1332;1.8178,-1.2627,.1234;1.7411,1.0661,-.4407;3.3456,-1.1639,.0422;1.3593,-2.2429,.2722;3.0362,1.3636,-.341;3.9042,.2526,.2664;3.8065,-1.8577,.7624;3.641,-1.5267,-.9622;3.4945,2.3309,-.5723;3.9863,.4498,1.3535;4.9305,.3064,-.1293;-.9326,-.0733,-.0186;-1.2131,-1.5339,.4077;-.9669,1.0482,1.0523;-1.132,.3368,-1.5002;-2.7501,-1.3698,.481;-.7324,-1.7885,1.3641;-.874,-2.2581,-.3479;-2.5079,1.1844,1.0955;-.5022,.733,1.999;-.4288,1.9397,.6894;-2.6742,.4537,-1.428;-.7544,-.4236,-2.2007;-.6002,1.2803,-1.7058;-2.6381,.0885,.0484;-3.318,-1.999,-.2203;-3.1803,-1.4994,1.4852;-2.9678,.9304,2.0619;-2.8963,2.1613,.7723;-3.2192,-.2738,-2.0475;-3.0766,1.4562,-1.6349; 0.000000 1.331627 0.000000 1.336844 2.397401 0.000000 2.400103 1.533161 2.789414 0.000000 2.173027 1.092315 3.406396 2.272152 0.000000 2.370692 2.932165 1.332554 2.575065 4.024276 0.000000 2.763686 2.582598 2.416762 1.539131 3.564335 1.535107 0.000000 3.265709 2.171921 3.776532 1.101095 2.525391 3.491099 2.170087 0.000000 2.944177 2.138271 3.256442 1.108070 2.691231 3.017573 2.178309 1.763902 0.000000 3.385682 4.026044 2.165911 3.551550 5.117769 1.095056 2.278233 4.407186 3.880069 0.000000 3.213021 3.024544 2.939335 2.175718 3.914180 2.146832 1.107853 2.388769 3.064035 2.736591 0.000000 3.759793 3.494943 3.293366 2.168639 4.406082 2.179628 1.101202 2.596512 2.391046 2.521311 1.763678 0.000000 2.130378 2.999886 2.936892 4.415441 3.169205 4.233222 4.856142 5.123733 4.890826 5.068119 5.133351 5.876396 0.000000 2.846672 3.056320 4.025883 4.588347 2.671759 5.197423 5.422103 5.042557 5.043728 6.169177 5.644772 6.435781 1.547136 0.000000 2.725447 3.736035 3.092423 4.950966 4.104999 4.250429 4.997891 5.595903 5.649916 4.918220 4.998334 6.060213 1.551058 2.672700 0.000000 2.735687 3.727695 3.147929 4.967940 4.000263 4.446614 5.337750 5.858661 5.152027 5.122709 5.861151 6.215655 1.550218 2.673197 2.654913 0.000000 4.184755 4.583188 5.191809 6.115019 4.206321 6.452071 6.852665 6.580782 6.553928 7.334839 7.032170 7.885064 2.287772 1.547475 3.058231 3.075035 0.000000 2.959204 2.884339 4.186244 4.332183 2.402882 5.200543 5.183590 4.579121 4.960511 6.211723 5.222646 6.219895 2.212133 1.100267 2.863407 3.588935 2.241959 0.000000 2.986571 2.908407 4.230606 4.376620 2.317798 5.329785 5.432554 4.827019 4.614902 6.339782 5.818036 6.349535 2.210193 1.100171 3.591746 2.850885 2.235184 1.780840 0.000000 4.111322 5.064082 4.519773 6.394357 5.232476 5.730025 6.532310 7.016896 7.028023 6.334418 6.540700 7.589519 2.303186 3.088425 1.547571 3.057648 2.638157 3.473096 4.074725 0.000000 2.853492 3.589278 3.331015 4.715164 3.911851 4.288778 4.759105 5.177395 5.571434 5.013794 4.543479 5.850247 2.214944 2.859436 1.100755 3.577439 3.432082 2.610350 3.820018 2.245669 0.000000 2.744099 3.952523 2.597818 4.929207 4.567775 3.660571 4.669026 5.688828 5.595225 4.139669 4.706743 5.662109 2.192523 3.572121 1.102717 2.803235 4.047774 3.800845 4.346848 2.249046 1.782277 0.000000 4.118798 5.052791 4.565629 6.404406 5.141051 5.883749 6.796096 7.220769 6.634771 6.504536 7.217926 7.716197 2.301610 3.074851 3.069188 1.548294 2.641009 4.073492 3.429390 2.632410 4.066929 3.425408 0.000000 2.857933 3.566777 3.397749 4.731736 3.727253 4.584937 5.314777 5.624827 4.697893 5.319052 5.989091 6.094428 2.217244 2.871758 3.576783 1.100655 3.474170 3.817218 2.610089 4.065136 4.363357 3.747496 2.247714 0.000000 2.763786 3.957226 2.669865 4.959797 4.490507 3.885006 5.023498 5.946288 5.140045 4.376656 5.575374 5.832895 2.188524 3.572448 2.792030 1.102454 4.053081 4.342728 3.799891 3.390562 3.746304 2.490200 2.249893 1.781029 0.000000 3.842046 4.656826 4.513592 6.113356 4.632892 5.828833 6.547984 6.769758 6.561745 6.559121 6.761344 7.573783 1.714457 2.188941 2.172916 2.174401 1.525164 2.980844 2.962279 1.521315 2.963492 2.952763 1.521311 2.978058 2.941206 0.000000 4.890862 5.199701 5.919336 6.720891 4.709435 7.190129 7.580726 7.193332 7.014327 8.079725 7.862942 8.565095 3.072318 2.245250 4.053692 3.445643 1.100110 3.039717 2.460994 3.538556 4.507536 4.968718 2.808640 3.602203 4.510776 2.211774 0.000000 4.865661 5.185687 5.874642 6.691940 4.757259 7.083550 7.399003 7.033166 7.247065 7.965978 7.428056 8.464740 3.057314 2.243164 3.402432 4.059507 1.100108 2.467835 3.042148 2.794021 3.524149 4.475616 3.543633 4.541830 4.956439 2.209011 1.782527 0.000000 4.820075 5.609747 5.334364 6.951573 5.656497 6.481497 7.134967 7.439951 7.671924 7.117676 7.006564 8.220303 3.078616 3.447856 2.244228 4.051048 2.799505 3.588327 4.511892 1.099959 2.474298 3.057611 3.534508 4.990200 4.463577 2.207201 3.729924 2.506299 0.000000 4.767756 5.862365 4.916932 7.109954 6.144622 6.088535 7.081362 7.815347 7.703615 6.532867 7.115949 8.093933 3.078174 4.076796 2.244926 3.406705 3.546080 4.542407 4.987503 1.099879 3.045773 2.478822 2.794004 4.484174 3.491255 2.210743 4.297809 3.740294 1.784233 0.000000 4.813395 5.573310 5.383467 6.946643 5.497269 6.687535 7.508253 7.730728 7.057551 7.350770 8.000537 8.392445 3.063538 3.411745 4.053258 2.242435 2.795466 4.485219 3.510811 3.537045 4.976934 4.491802 1.099992 2.474032 3.064469 2.204939 2.514915 3.739509 4.289584 3.739666 0.000000 4.791933 5.868495 4.978860 7.136039 6.082490 6.248986 7.334555 8.006633 7.380810 6.713719 7.734847 8.228184 3.090116 4.072480 3.440648 2.247834 3.545348 5.001688 4.505930 2.802201 4.511755 3.556294 1.099900 3.040778 2.483681 2.212782 3.741305 4.298973 3.735570 2.514772 1.784184 0.000000 C14H18 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;16;17;20;23;26;5;8;9;10;11;12;18;19;21;22;24;25;27;28;29;30;31;32/rA:32nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1947,.0863,.1336;1.8186,1.2607,.0652;1.7413,-1.1289,.2427;3.3466,1.1493,.1234;1.3606,2.2523,.0798;3.0357,-1.4068,.091;3.9028,-.2122,-.3306;3.8056,1.9509,-.4759;3.646,1.3435,1.1724;3.4937,-2.3991,.1599;3.9807,-.2296,-1.4356;4.9304,-.3302,.0472;-.9326,.0656,.0219;-1.2131,1.5762,-.1598;-.9721,-.8666,-1.2172;-1.1271,-.5803,1.4176;-2.7505,1.427,-.2531;-.7355,1.9829,-1.0637;-.8704,2.1674,.7024;-2.5134,-.9931,-1.2763;-.5104,-.4016,-2.1017;-.4336,-1.8055,-1.0064;-2.6697,-.6831,1.3331;-.7461,.0556,2.2312;-.5956,-1.545,1.4648;-2.6385,-.0823,-.0642;-3.3151,1.9339,.5435;-3.1841,1.7187,-1.2211;-2.9765,-.5848,-2.1867;-2.9017,-2.0094,-1.115;-3.2116,-.066,2.0649;-3.0725,-1.7057,1.3755; 1.5629989 0.4305541 0.4010820 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;16;17;20;23;26;5;8;9;10;11;12;18;19;21;22;24;25;27;28;29;30;31;32/rA:32nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1943,-.1141,-.133;1.8178,-1.2629,.1213;1.7411,1.067,-.4382;3.3457,-1.164,.0403;1.3593,-2.2434,.268;3.0362,1.3643,-.3381;3.9043,.2522,.267;3.8065,-1.8591,.7591;3.641,-1.5249,-.9649;3.4945,2.332,-.5676;3.9865,.4472,1.3545;4.9305,.3067,-.1286;-.9325,-.0733,-.0183;-1.2131,-1.5337,.4085;-.9672,1.0488,1.0519;-1.1319,.3361,-1.5002;-2.7501,-1.3693,.4825;-.7318,-1.7883,1.3646;-.8747,-2.2581,-.3472;-2.5081,1.1854,1.0944;-.503,.7338,1.999;-.4285,1.9399,.6889;-2.6741,.4522,-1.4283;-.7537,-.4242,-2.2004;-.6006,1.2799,-1.706;-2.638,.0884,.0484;-3.3185,-1.9992,-.2177;-3.1795,-1.4978,1.4872;-2.9685,.9326,2.0609;-2.896,2.1621,.7699;-3.2185,-.2763,-2.0472;-3.0772,1.4542,-1.6364; 0.000000 1.331625 0.000000 1.336829 2.397402 0.000000 2.400100 1.533168 2.789429 0.000000 2.173052 1.092307 3.406401 2.272115 0.000000 2.370677 2.932173 1.332554 2.575073 4.024274 0.000000 2.763672 2.582625 2.416756 1.539135 3.564349 1.535103 0.000000 3.265664 2.171917 3.776502 1.101096 2.525377 3.491083 2.170080 0.000000 2.944251 2.138272 3.256555 1.108071 2.691111 3.017644 2.178322 1.763904 0.000000 3.385667 4.026049 2.165913 3.551551 5.117762 1.095056 2.278230 4.407175 3.880113 0.000000 3.213014 3.024608 2.939316 2.175713 3.914273 2.146827 1.107851 2.388717 3.064023 2.736607 0.000000 3.759778 3.494955 3.293368 2.168645 4.406061 2.179624 1.101202 2.596546 2.391035 2.521295 1.763674 0.000000 2.130357 2.999870 2.936836 4.415426 3.169251 4.233195 4.856151 5.123708 4.890815 5.068092 5.133442 5.876376 0.000000 2.846825 3.056546 4.025937 4.588542 2.672260 5.197365 5.421905 5.042379 5.044635 6.169103 5.643975 6.435796 1.547165 0.000000 2.725496 3.737156 3.091212 4.951799 4.106798 4.249571 4.998169 5.597309 5.650355 4.916885 4.999194 6.060279 1.551067 2.672782 0.000000 2.735565 3.726509 3.148982 4.967051 3.998356 4.447539 5.337888 5.857600 5.150728 5.124090 5.861656 6.215669 1.550243 2.673214 2.654895 0.000000 4.184827 4.583387 5.191734 6.115187 4.206807 6.451901 6.852433 6.580665 6.554717 7.334622 7.031413 7.885011 2.287777 1.547479 3.057807 3.075437 0.000000 2.959053 2.884914 4.185522 4.332395 2.404707 5.199648 5.182832 4.579113 4.961578 6.210648 5.221107 6.219380 2.212278 1.100266 2.863975 3.588940 2.242066 0.000000 2.987261 2.908548 4.231692 4.377070 2.317271 5.330765 5.432994 4.826708 4.616313 6.340920 5.817677 6.350296 2.210154 1.100158 3.591876 2.850524 2.235008 1.780839 0.000000 4.111350 5.065078 4.518712 6.395111 5.234204 5.729198 6.532554 7.018276 7.028351 6.333087 6.541570 7.589531 2.303256 3.088848 1.547572 3.057340 2.638091 3.474363 4.074777 0.000000 2.853972 3.591526 3.329714 4.717033 3.915168 4.287833 4.759793 5.180010 5.573061 5.012116 4.544514 5.850808 2.214910 2.859327 1.100759 3.577480 3.431095 2.610766 3.820280 2.245633 0.000000 2.743626 3.952941 2.595987 4.929353 4.568711 3.659237 4.668939 5.689675 5.594635 4.137868 4.707735 5.661643 2.192491 3.572094 1.102730 2.803342 4.047588 3.801048 4.346867 2.249129 1.782304 0.000000 4.118682 5.051770 4.566452 6.403617 5.139328 5.884586 6.796285 7.219817 6.633537 6.505832 7.218543 7.716251 2.301577 3.074461 3.069421 1.548263 2.641044 4.073440 3.428161 2.632375 4.066944 3.426154 0.000000 2.857495 3.564575 3.398988 4.729934 3.723901 4.585873 5.314348 5.622556 4.695829 5.320669 5.988783 6.093961 2.217309 2.872011 3.576737 1.100651 3.475176 3.817135 2.609989 4.065056 4.363387 3.747323 2.247717 0.000000 2.763953 3.956476 2.671351 4.959322 4.489108 3.886458 5.024236 5.945848 5.138786 4.378604 5.576828 5.833374 2.188518 3.572528 2.791786 1.102456 4.053211 4.342823 3.799882 3.389683 3.746339 2.490076 2.249841 1.781019 0.000000 3.842024 4.656861 4.513477 6.113378 4.633028 5.828769 6.548031 6.769835 6.561688 6.559031 6.761564 7.573770 1.714465 2.188939 2.172826 2.174439 1.525141 2.981317 2.961765 1.521278 2.963103 2.952988 1.521333 2.978406 2.940919 0.000000 4.891483 5.199884 5.920304 6.721230 4.709313 7.190963 7.581031 7.193019 7.015482 8.080736 7.862511 8.565676 3.072731 2.245317 4.053535 3.446726 1.100110 3.039573 2.460845 3.538395 4.506740 4.968947 2.808970 3.604149 4.511646 2.211828 0.000000 4.865192 5.185972 5.873483 6.692000 4.758520 7.082256 7.398049 7.033159 7.247909 7.964382 7.426425 8.463990 3.056900 2.243104 3.401312 4.059614 1.100108 2.467911 3.042216 2.793650 3.522210 4.474690 3.543732 4.542617 4.956107 2.208904 1.782531 0.000000 4.820545 5.611715 5.333268 6.953211 5.659656 6.480583 7.135535 7.442397 7.673313 7.115969 7.007570 8.220693 3.078992 3.448833 2.244270 4.050965 2.799621 3.590404 4.512583 1.099958 2.474296 3.057553 3.534422 4.990485 4.462854 2.207221 3.729654 2.506104 0.000000 4.767286 5.862739 4.915431 7.110103 6.145605 6.087321 7.081289 7.816287 7.702962 6.531151 7.116960 8.093469 3.077912 4.076972 2.244870 3.405830 3.546101 4.543481 4.987141 1.099878 3.045886 2.478849 2.793782 4.483442 3.489592 2.210685 4.297738 3.740269 1.784246 0.000000 4.812850 5.571359 5.384303 6.945013 5.494206 6.688317 7.507895 7.728608 7.055651 7.352266 8.000373 8.392050 3.063151 3.410734 4.053250 2.242346 2.795302 4.484430 3.508669 3.537064 4.976571 4.492364 1.099995 2.473975 3.064567 2.204894 2.515074 3.739705 4.289557 3.739739 0.000000 4.792277 5.868006 4.980136 7.135771 6.081296 6.250419 7.335475 8.006399 7.379699 6.715644 7.736597 8.228838 3.090448 4.072343 3.441466 2.247886 3.545283 5.002066 4.504888 2.802375 4.512413 3.557868 1.099902 3.040630 2.483743 2.212850 3.741249 4.298970 3.735444 2.514765 1.784169 0.000000 C14H18 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;16;17;20;23;26;5;8;9;10;11;12;18;19;21;22;24;25;27;28;29;30;31;32/rA:32nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1948,.0863,.1334;1.8186,1.2608,.0651;1.7413,-1.1288,.2424;3.3466,1.1492,.1234;1.3607,2.2523,.0798;3.0357,-1.4068,.0909;3.9028,-.2122,-.3305;3.8057,1.9508,-.4759;3.6459,1.3435,1.1725;3.4937,-2.3991,.1599;3.9809,-.2296,-1.4355;4.9304,-.3302,.0474;-.9326,.0656,.0216;-1.213,1.5759,-.1635;-.9723,-.8695,-1.2152;-1.127,-.5769,1.419;-2.7504,1.4264,-.2572;-.7349,1.9809,-1.0679;-.8711,2.1689,.6977;-2.5136,-.9966,-1.2734;-.5112,-.4064,-2.101;-.4333,-1.8076,-1.0024;-2.6696,-.6791,1.3351;-.7455,.0606,2.231;-.5961,-1.5418,1.4681;-2.6385,-.0823,-.0639;-3.3156,1.9356,.5374;-3.1833,1.7151,-1.2265;-2.9771,-.5913,-2.1848;-2.9014,-2.0126,-1.1089;-3.2109,-.0595,2.0652;-3.0731,-1.7013,1.3806; 1.5630040 0.4305526 0.4010790 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;16;17;20;23;26;5;8;9;10;11;12;18;19;21;22;24;25;27;28;29;30;31;32/rA:32nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1943,-.114,-.1329;1.8178,-1.2629,.1212;1.7411,1.0671,-.4381;3.3457,-1.164,.0402;1.3594,-2.2434,.2679;3.0362,1.3643,-.338;3.9043,.2521,.267;3.8065,-1.8592,.759;3.6409,-1.5249,-.965;3.4945,2.3321,-.5674;3.9865,.4471,1.3545;4.9305,.3067,-.1286;-.9325,-.0733,-.0183;-1.2131,-1.5337,.4086;-.9672,1.0488,1.0519;-1.1318,.3361,-1.5002;-2.7501,-1.3693,.4826;-.7318,-1.7883,1.3647;-.8747,-2.2581,-.3471;-2.5081,1.1855,1.0944;-.503,.7339,1.9991;-.4285,1.9399,.6889;-2.6741,.4521,-1.4284;-.7536,-.4243,-2.2004;-.6006,1.2799,-1.706;-2.638,.0884,.0484;-3.3185,-1.9992,-.2176;-3.1795,-1.4977,1.4873;-2.9685,.9327,2.0608;-2.896,2.1621,.7698;-3.2184,-.2764,-2.0472;-3.0772,1.4541,-1.6364; 0.000000 1.331624 0.000000 1.336827 2.397404 0.000000 2.400100 1.533169 2.789434 0.000000 2.173056 1.092307 3.406403 2.272110 0.000000 2.370674 2.932175 1.332554 2.575076 4.024275 0.000000 2.763672 2.582630 2.416757 1.539136 3.564352 1.535102 0.000000 3.265657 2.171916 3.776499 1.101097 2.525374 3.491081 2.170079 0.000000 2.944261 2.138272 3.256578 1.108071 2.691093 3.017662 2.178325 1.763904 0.000000 3.385665 4.026051 2.165913 3.551555 5.117762 1.095056 2.278229 4.407174 3.880132 0.000000 3.213022 3.024623 2.939319 2.175713 3.914290 2.146825 1.107851 2.388707 3.064020 2.736602 0.000000 3.759773 3.494956 3.293367 2.168646 4.406058 2.179623 1.101202 2.596555 2.391031 2.521294 1.763673 0.000000 2.130355 2.999864 2.936831 4.415423 3.169252 4.233193 4.856156 5.123702 4.890809 5.068092 5.133470 5.876374 0.000000 2.846841 3.056562 4.025945 4.588558 2.672291 5.197371 5.421911 5.042378 5.044676 6.169108 5.643973 6.435806 1.547167 0.000000 2.725506 3.737218 3.091163 4.951856 4.106892 4.249552 4.998213 5.597388 5.650393 4.916844 4.999285 6.060311 1.551069 2.672787 0.000000 2.735549 3.726438 3.149014 4.966989 3.998258 4.447560 5.337874 5.857531 5.150645 5.124131 5.861677 6.215636 1.550246 2.673220 2.654894 0.000000 4.184835 4.583401 5.191731 6.115200 4.206839 6.451899 6.852438 6.580669 6.554747 7.334617 7.031421 7.885017 2.287778 1.547479 3.057790 3.075455 0.000000 2.959068 2.884971 4.185507 4.332439 2.404825 5.199636 5.182839 4.579146 4.961654 6.210625 5.221095 6.219396 2.212286 1.100266 2.864000 3.588946 2.242069 0.000000 2.987296 2.908545 4.231744 4.377079 2.317237 5.330808 5.433010 4.826681 4.616360 6.340970 5.817672 6.350319 2.210154 1.100157 3.591884 2.850519 2.235001 1.780840 0.000000 4.111355 5.065132 4.518664 6.395160 5.234293 5.729174 6.532593 7.018354 7.028374 6.333039 6.541665 7.589554 2.303259 3.088867 1.547572 3.057322 2.638088 3.474416 4.074781 0.000000 2.854013 3.591656 3.329675 4.717159 3.915344 4.287831 4.759882 5.180164 5.573173 5.012080 4.544641 5.850892 2.214909 2.859321 1.100759 3.577483 3.431050 2.610782 3.820292 2.245630 0.000000 2.743603 3.952963 2.595902 4.929369 4.568758 3.659189 4.668955 5.689718 5.594621 4.137800 4.707817 5.661640 2.192490 3.572094 1.102731 2.803345 4.047581 3.801056 4.346869 2.249135 1.782306 0.000000 4.118668 5.051709 4.566475 6.403562 5.139241 5.884606 6.796279 7.219758 6.633455 6.505871 7.218581 7.716226 2.301577 3.074446 3.069432 1.548258 2.641044 4.073438 3.428113 2.632370 4.066944 3.426189 0.000000 2.857460 3.564448 3.399024 4.729815 3.723729 4.585881 5.314290 5.622419 4.695693 5.320708 5.988749 6.093886 2.217314 2.872030 3.576735 1.100651 3.475224 3.817143 2.610000 4.065049 4.363391 3.747312 2.247715 0.000000 2.763942 3.956419 2.671393 4.959271 4.489029 3.886492 5.024238 5.945799 5.138705 4.378660 5.576878 5.833353 2.188517 3.572534 2.791770 1.102457 4.053216 4.342830 3.799891 3.389636 3.746338 2.490064 2.249839 1.781018 0.000000 3.842022 4.656860 4.513465 6.113378 4.633035 5.828765 6.548041 6.769839 6.561675 6.559026 6.761608 7.573769 1.714466 2.188938 2.172822 2.174438 1.525138 2.981334 2.961744 1.521275 2.963083 2.953000 1.521333 2.978421 2.940903 0.000000 4.891510 5.199887 5.920341 6.721239 4.709308 7.190995 7.581047 7.193004 7.015514 8.080774 7.862520 8.565693 3.072748 2.245320 4.053528 3.446770 1.100110 3.039566 2.460839 3.538386 4.506703 4.968956 2.808979 3.604234 4.511680 2.211827 0.000000 4.865185 5.186004 5.873441 6.692026 4.758599 7.082218 7.398043 7.033187 7.247957 7.964330 7.426416 8.463987 3.056885 2.243103 3.401267 4.059620 1.100108 2.467913 3.042219 2.793637 3.522127 4.474655 3.543735 4.542656 4.956092 2.208899 1.782531 0.000000 4.820574 5.611821 5.333223 6.953311 5.659819 6.480564 7.135602 7.442535 7.673393 7.115914 7.007686 8.220750 3.079009 3.448876 2.244270 4.050958 2.799626 3.590492 4.512614 1.099958 2.474293 3.057552 3.534415 4.990496 4.462814 2.207220 3.729642 2.506100 0.000000 4.767264 5.862759 4.915358 7.110119 6.145657 6.087273 7.081307 7.816340 7.702936 6.531081 7.117055 8.093464 3.077900 4.076980 2.244868 3.405783 3.546101 4.543525 4.987126 1.099878 3.045890 2.478853 2.793766 4.483402 3.489507 2.210681 4.297731 3.740271 1.784247 0.000000 4.812814 5.571250 5.384324 6.944911 5.494051 6.688328 7.507856 7.728488 7.055526 7.352308 8.000368 8.391993 3.063134 3.410689 4.053249 2.242338 2.795291 4.484394 3.508578 3.537061 4.976554 4.492390 1.099996 2.473969 3.064573 2.204891 2.515073 3.739709 4.289553 3.739738 0.000000 4.792286 5.867973 4.980181 7.135743 6.081235 6.250469 7.335506 8.006375 7.379627 6.715714 7.736691 8.228843 3.090468 4.072341 3.441506 2.247887 3.545278 5.002084 4.504850 2.802380 4.512445 3.557946 1.099902 3.040622 2.483750 2.212854 3.741239 4.298967 3.735435 2.514760 1.784168 0.000000 C14H18 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;16;17;20;23;26;5;8;9;10;11;12;18;19;21;22;24;25;27;28;29;30;31;32/rA:32nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1948,.0863,.1333;1.8186,1.2608,.0651;1.7413,-1.1288,.2424;3.3466,1.1493,.1234;1.3607,2.2523,.0798;3.0357,-1.4068,.0909;3.9028,-.2122,-.3305;3.8057,1.9508,-.4759;3.6459,1.3435,1.1725;3.4937,-2.3991,.1599;3.9809,-.2296,-1.4354;4.9304,-.3302,.0474;-.9326,.0657,.0216;-1.213,1.5759,-.1636;-.9723,-.8696,-1.2151;-1.127,-.5768,1.419;-2.7504,1.4263,-.2574;-.7349,1.9808,-1.0681;-.8711,2.169,.6975;-2.5136,-.9968,-1.2732;-.5113,-.4066,-2.101;-.4333,-1.8077,-1.0022;-2.6696,-.6789,1.3352;-.7454,.0608,2.231;-.596,-1.5417,1.4683;-2.6385,-.0823,-.0639;-3.3156,1.9357,.5372;-3.1833,1.715,-1.2267;-2.9772,-.5916,-2.1847;-2.9014,-2.0128,-1.1086;-3.2109,-.0592,2.0653;-3.0731,-1.7011,1.3809; 1.5630052 0.4305523 0.4010784 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;16;17;20;23;26;5;8;9;10;11;12;18;19;21;22;24;25;27;28;29;30;31;32/rA:32nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1943,-.114,-.1329;1.8178,-1.2629,.1212;1.7411,1.0671,-.4381;3.3457,-1.164,.0402;1.3594,-2.2434,.2679;3.0362,1.3643,-.338;3.9043,.2521,.267;3.8065,-1.8592,.759;3.6409,-1.5249,-.965;3.4945,2.3321,-.5674;3.9865,.4471,1.3545;4.9305,.3067,-.1286;-.9325,-.0733,-.0183;-1.2131,-1.5337,.4086;-.9672,1.0488,1.0519;-1.1318,.3361,-1.5002;-2.7501,-1.3693,.4826;-.7318,-1.7883,1.3647;-.8747,-2.2581,-.3471;-2.5081,1.1855,1.0944;-.503,.7339,1.9991;-.4285,1.9399,.6889;-2.6741,.4521,-1.4284;-.7536,-.4243,-2.2004;-.6006,1.2799,-1.706;-2.638,.0884,.0484;-3.3185,-1.9992,-.2176;-3.1795,-1.4977,1.4873;-2.9685,.9327,2.0608;-2.896,2.1621,.7698;-3.2184,-.2764,-2.0472;-3.0772,1.4541,-1.6364; 0.000000 1.331624 0.000000 1.336827 2.397404 0.000000 2.400100 1.533169 2.789434 0.000000 2.173056 1.092307 3.406403 2.272110 0.000000 2.370674 2.932175 1.332554 2.575076 4.024275 0.000000 2.763672 2.582630 2.416757 1.539136 3.564352 1.535102 0.000000 3.265657 2.171916 3.776499 1.101097 2.525374 3.491081 2.170079 0.000000 2.944261 2.138272 3.256578 1.108071 2.691093 3.017662 2.178325 1.763904 0.000000 3.385665 4.026051 2.165913 3.551555 5.117762 1.095056 2.278229 4.407174 3.880132 0.000000 3.213022 3.024623 2.939319 2.175713 3.914290 2.146825 1.107851 2.388707 3.064020 2.736602 0.000000 3.759773 3.494956 3.293367 2.168646 4.406058 2.179623 1.101202 2.596555 2.391031 2.521294 1.763673 0.000000 2.130355 2.999864 2.936831 4.415423 3.169252 4.233193 4.856156 5.123702 4.890809 5.068092 5.133470 5.876374 0.000000 2.846841 3.056562 4.025945 4.588558 2.672291 5.197371 5.421911 5.042378 5.044676 6.169108 5.643973 6.435806 1.547167 0.000000 2.725506 3.737218 3.091163 4.951856 4.106892 4.249552 4.998213 5.597388 5.650393 4.916844 4.999285 6.060311 1.551069 2.672787 0.000000 2.735549 3.726438 3.149014 4.966989 3.998258 4.447560 5.337874 5.857531 5.150645 5.124131 5.861677 6.215636 1.550246 2.673220 2.654894 0.000000 4.184835 4.583401 5.191731 6.115200 4.206839 6.451899 6.852438 6.580669 6.554747 7.334617 7.031421 7.885017 2.287778 1.547479 3.057790 3.075455 0.000000 2.959068 2.884971 4.185507 4.332439 2.404825 5.199636 5.182839 4.579146 4.961654 6.210625 5.221095 6.219396 2.212286 1.100266 2.864000 3.588946 2.242069 0.000000 2.987296 2.908545 4.231744 4.377079 2.317237 5.330808 5.433010 4.826681 4.616360 6.340970 5.817672 6.350319 2.210154 1.100157 3.591884 2.850519 2.235001 1.780840 0.000000 4.111355 5.065132 4.518664 6.395160 5.234293 5.729174 6.532593 7.018354 7.028374 6.333039 6.541665 7.589554 2.303259 3.088867 1.547572 3.057322 2.638088 3.474416 4.074781 0.000000 2.854013 3.591656 3.329675 4.717159 3.915344 4.287831 4.759882 5.180164 5.573173 5.012080 4.544641 5.850892 2.214909 2.859321 1.100759 3.577483 3.431050 2.610782 3.820292 2.245630 0.000000 2.743603 3.952963 2.595902 4.929369 4.568758 3.659189 4.668955 5.689718 5.594621 4.137800 4.707817 5.661640 2.192490 3.572094 1.102731 2.803345 4.047581 3.801056 4.346869 2.249135 1.782306 0.000000 4.118668 5.051709 4.566475 6.403562 5.139241 5.884606 6.796279 7.219758 6.633455 6.505871 7.218581 7.716226 2.301577 3.074446 3.069432 1.548258 2.641044 4.073438 3.428113 2.632370 4.066944 3.426189 0.000000 2.857460 3.564448 3.399024 4.729815 3.723729 4.585881 5.314290 5.622419 4.695693 5.320708 5.988749 6.093886 2.217314 2.872030 3.576735 1.100651 3.475224 3.817143 2.610000 4.065049 4.363391 3.747312 2.247715 0.000000 2.763942 3.956419 2.671393 4.959271 4.489029 3.886492 5.024238 5.945799 5.138705 4.378660 5.576878 5.833353 2.188517 3.572534 2.791770 1.102457 4.053216 4.342830 3.799891 3.389636 3.746338 2.490064 2.249839 1.781018 0.000000 3.842022 4.656860 4.513465 6.113378 4.633035 5.828765 6.548041 6.769839 6.561675 6.559026 6.761608 7.573769 1.714466 2.188938 2.172822 2.174438 1.525138 2.981334 2.961744 1.521275 2.963083 2.953000 1.521333 2.978421 2.940903 0.000000 4.891510 5.199887 5.920341 6.721239 4.709308 7.190995 7.581047 7.193004 7.015514 8.080774 7.862520 8.565693 3.072748 2.245320 4.053528 3.446770 1.100110 3.039566 2.460839 3.538386 4.506703 4.968956 2.808979 3.604234 4.511680 2.211827 0.000000 4.865185 5.186004 5.873441 6.692026 4.758599 7.082218 7.398043 7.033187 7.247957 7.964330 7.426416 8.463987 3.056885 2.243103 3.401267 4.059620 1.100108 2.467913 3.042219 2.793637 3.522127 4.474655 3.543735 4.542656 4.956092 2.208899 1.782531 0.000000 4.820574 5.611821 5.333223 6.953311 5.659819 6.480564 7.135602 7.442535 7.673393 7.115914 7.007686 8.220750 3.079009 3.448876 2.244270 4.050958 2.799626 3.590492 4.512614 1.099958 2.474293 3.057552 3.534415 4.990496 4.462814 2.207220 3.729642 2.506100 0.000000 4.767264 5.862759 4.915358 7.110119 6.145657 6.087273 7.081307 7.816340 7.702936 6.531081 7.117055 8.093464 3.077900 4.076980 2.244868 3.405783 3.546101 4.543525 4.987126 1.099878 3.045890 2.478853 2.793766 4.483402 3.489507 2.210681 4.297731 3.740271 1.784247 0.000000 4.812814 5.571250 5.384324 6.944911 5.494051 6.688328 7.507856 7.728488 7.055526 7.352308 8.000368 8.391993 3.063134 3.410689 4.053249 2.242338 2.795291 4.484394 3.508578 3.537061 4.976554 4.492390 1.099996 2.473969 3.064573 2.204891 2.515073 3.739709 4.289553 3.739738 0.000000 4.792286 5.867973 4.980181 7.135743 6.081235 6.250469 7.335506 8.006375 7.379627 6.715714 7.736691 8.228843 3.090468 4.072341 3.441506 2.247887 3.545278 5.002084 4.504850 2.802380 4.512445 3.557946 1.099902 3.040622 2.483750 2.212854 3.741239 4.298967 3.735435 2.514760 1.784168 0.000000 C14H18 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;16;17;20;23;26;5;8;9;10;11;12;18;19;21;22;24;25;27;28;29;30;31;32/rA:32nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1948,.0863,.1333;1.8186,1.2608,.0651;1.7413,-1.1288,.2424;3.3466,1.1493,.1234;1.3607,2.2523,.0798;3.0357,-1.4068,.0909;3.9028,-.2122,-.3305;3.8057,1.9508,-.4759;3.6459,1.3435,1.1725;3.4937,-2.3991,.1599;3.9809,-.2296,-1.4354;4.9304,-.3302,.0474;-.9326,.0657,.0216;-1.213,1.5759,-.1636;-.9723,-.8696,-1.2151;-1.127,-.5768,1.419;-2.7504,1.4263,-.2574;-.7349,1.9808,-1.0681;-.8711,2.169,.6975;-2.5136,-.9968,-1.2732;-.5113,-.4066,-2.101;-.4333,-1.8077,-1.0022;-2.6696,-.6789,1.3352;-.7454,.0608,2.231;-.596,-1.5417,1.4683;-2.6385,-.0823,-.0639;-3.3156,1.9357,.5372;-3.1833,1.715,-1.2267;-2.9772,-.5916,-2.1847;-2.9014,-2.0128,-1.1086;-3.2109,-.0592,2.0653;-3.0731,-1.7011,1.3809; 1.5630052 0.4305523 0.4010784 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 299 299 299 299 299 MxSgAt= 32 MxSgA2= 32. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 299 299 299 299 299 MxSgAt= 32 MxSgA2= 32. 1 0.1083 Using compressed storage, NAtomX= 32. Will process 33 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=11111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 9614 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 3221225472 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=T KAlg= 0 I1Cent= 0 FoldK=F IRaf= 1 NMat= 96 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 96 NMatS0= 96 NMatT0= 0 NMatD0= 96 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 99 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 96 vectors produced by pass 0 Test12= 2.42D-14 1.01D-09 XBig12= 2.69D+02 8.14D+00. AX will form 96 AO Fock derivatives at one time. 96 vectors produced by pass 1 Test12= 2.42D-14 1.01D-09 XBig12= 3.15D+01 6.86D-01. 96 vectors produced by pass 2 Test12= 2.42D-14 1.01D-09 XBig12= 8.93D-01 1.86D-01. 96 vectors produced by pass 3 Test12= 2.42D-14 1.01D-09 XBig12= 2.24D-02 2.22D-02. 96 vectors produced by pass 4 Test12= 2.42D-14 1.01D-09 XBig12= 2.89D-04 1.90D-03. 96 vectors produced by pass 5 Test12= 2.42D-14 1.01D-09 XBig12= 3.35D-06 1.82D-04. 96 vectors produced by pass 6 Test12= 2.42D-14 1.01D-09 XBig12= 3.16D-08 1.32D-05. 55 vectors produced by pass 7 Test12= 2.42D-14 1.01D-09 XBig12= 2.69D-10 1.40D-06. 10 vectors produced by pass 8 Test12= 2.42D-14 1.01D-09 XBig12= 2.09D-12 1.39D-07. 3 vectors produced by pass 9 Test12= 2.42D-14 1.01D-09 XBig12= 1.86D-14 1.23D-08. InvSVY: IOpt=1 It= 1 EMax= 1.07D-14 Solved reduced A of dimension 740 with 99 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 172.90 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 253.717 -23.351 152.210 2.797 -1.052 112.761 233.190 -22.474 185.702 2.869 -2.228 133.171 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 C C C C H C C H H H H H C C C C C H H C H H C H H C H H H H H H 13 13 13 13 1 13 13 1 1 1 1 1 13 13 13 13 13 1 1 13 1 1 13 1 1 13 1 1 1 1 1 1 0.06844 -0.03191 -0.18196 0.01726 0.00358 0.00124 -0.01515 -0.00049 -0.00148 -0.00200 0.00151 -0.00006 0.00642 0.02524 0.03794 0.03910 -0.00891 0.00028 0.00015 -0.00883 0.00010 0.00027 -0.00933 0.00009 0.00001 0.06035 0.00066 0.00052 0.00050 0.00037 0.00042 0.00050 38.46838 -17.93732 -102.28050 9.69990 8.00375 0.69975 -8.51408 -1.08965 -3.31025 -4.46841 3.36571 -0.13202 3.61063 14.18636 21.32540 21.97731 -5.00622 0.62585 0.32915 -4.96587 0.22928 0.60508 -5.24591 0.19207 0.02037 33.92134 1.48517 1.15122 1.10875 0.81928 0.94548 1.10701 13.72648 -6.40048 -36.49623 3.46116 2.85594 0.24969 -3.03803 -0.38882 -1.18118 -1.59444 1.20097 -0.04711 1.28836 5.06205 7.60943 7.84205 -1.78634 0.22332 0.11745 -1.77195 0.08181 0.21591 -1.87187 0.06854 0.00727 12.10398 0.52995 0.41079 0.39563 0.29234 0.33737 0.39501 12.83167 -5.98325 -34.11710 3.23554 2.66976 0.23341 -2.83999 -0.36347 -1.10418 -1.49050 1.12268 -0.04404 1.20438 4.73206 7.11339 7.33084 -1.66989 0.20876 0.10979 -1.65644 0.07648 0.20183 -1.74985 0.06407 0.00679 11.31494 0.49540 0.38401 0.36984 0.27328 0.31538 0.36926 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 0.167130 0.031229 -0.031742 0.013794 0.002013 -0.057743 0.000341 -0.000123 -0.000090 -0.006671 0.000525 -0.001440 -0.043736 0.000321 0.000492 -0.000309 0.000099 -0.000479 -0.000832 -0.001489 -0.000203 -0.005080 -0.000730 -0.000289 -0.002602 0.193744 -0.000829 -0.000884 -0.001275 -0.001589 -0.000975 -0.001252 -0.133811 0.027719 -0.020775 -0.006348 -0.001935 -0.015873 -0.010283 0.000027 -0.000795 0.004047 0.000937 0.000841 0.020780 0.009279 -0.006631 -0.011494 0.000144 -0.000282 0.000795 0.000985 -0.000493 0.004983 -0.000364 -0.001020 0.002127 -0.096566 0.002056 0.000514 -0.000056 0.002429 -0.001327 -0.000362 -0.033319 -0.058949 0.052518 -0.007446 -0.000078 0.073616 0.009942 0.000096 0.000886 0.002624 -0.001462 0.000599 0.022957 -0.009600 0.006139 0.011804 -0.000243 0.000761 0.000037 0.000504 0.000696 0.000097 0.001094 0.001308 0.000474 -0.097178 -0.001227 0.000371 0.001331 -0.000841 0.002302 0.001614 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 -0.028051 -0.006271 -0.195844 -0.000761 0.004627 0.003170 -0.016404 0.000101 -0.000082 0.000418 -0.000821 0.000036 -0.006777 0.010650 0.001050 0.001179 -0.002430 0.000938 0.001221 0.002356 0.000357 -0.001694 0.000807 0.000972 0.000746 0.021200 -0.000908 -0.000528 0.000517 0.000332 0.000158 0.000446 -0.013680 -0.013637 0.053903 0.001287 -0.000005 0.025724 0.006478 -0.000106 0.000364 0.001665 0.000469 -0.000922 -0.001530 -0.000893 -0.009769 0.007466 0.000788 -0.001277 0.000331 0.001630 -0.002020 -0.005764 -0.002456 0.001123 0.003799 0.010417 0.000168 0.000445 0.000147 0.000114 -0.000801 -0.000547 0.004114 -0.010464 0.050672 0.000669 -0.000845 0.020301 0.007690 -0.000638 -0.000056 -0.000554 0.000474 0.000609 -0.000202 -0.002748 0.012284 -0.001939 -0.000549 -0.000699 0.000938 0.001051 0.001230 0.000512 -0.000525 0.000629 -0.002415 0.000848 -0.000229 -0.001827 0.001813 0.001209 0.000648 -0.001605 0.0907 0.9955 -0.0277 0.0707 0.0213 0.9973 0.9934 -0.0924 -0.0685 -0.1365 -0.0342 0.1707 -18.315 -4.589 22.904 -6.535 -1.638 8.173 -6.109 -1.531 7.64 1 C 13 0.1512 0.1244 0.9806 0.5233 0.8316 -0.1862 0.8386 -0.5413 -0.0606 -0.0624 0.0261 0.0363 -8.371 3.504 4.866 -2.987 1.25 1.736 -2.792 1.169 1.623 2 C 13 0.6957 0.6754 -0.2445 0.1667 0.1793 0.9696 -0.6987 0.7153 -0.0121 -0.2408 0.0712 0.1697 -32.317 9.548 22.769 -11.532 3.407 8.125 -10.78 3.185 7.595 3 C 13 -0.0686 -0.4313 0.8996 0.0065 0.9015 0.4327 0.9976 -0.0355 0.0591 -0.0079 -0.006 0.0139 -1.055 -0.809 1.865 -0.377 -0.289 0.665 -0.352 -0.27 0.622 4 C 13 -0.5404 0.8298 0.1393 0.1527 -0.0661 0.9861 0.8274 0.5542 -0.091 -0.0051 -0.0 0.0051 -2.716 -0.012 2.728 -0.969 -0.004 0.973 -0.906 -0.004 0.91 5 H 1 0.9821 0.0149 -0.1877 -0.0526 0.9789 -0.1975 0.1808 0.2039 0.9622 -0.0626 -0.0201 0.0828 -8.402 -2.703 11.104 -2.998 -0.964 3.962 -2.803 -0.901 3.704 6 C 13 0.5697 0.7743 -0.2754 -0.5747 0.6149 0.5401 0.5875 -0.1494 0.7953 -0.0251 0.0118 0.0133 -3.366 1.584 1.782 -1.201 0.565 0.636 -1.123 0.528 0.595 7 C 13 5.0E-4 0.7257 0.688 0.9854 -0.1174 0.1232 -0.1702 -0.6779 0.7152 -6.0E-4 -1.0E-4 7.0E-4 -0.308 -0.079 0.387 -0.11 -0.028 0.138 -0.103 -0.026 0.129 8 H 1 0.1088 0.994 0.0096 0.9422 -0.1001 -0.3198 0.3169 -0.0439 0.9474 -8.0E-4 -2.0E-4 0.001 -0.429 -0.11 0.539 -0.153 -0.039 0.192 -0.143 -0.037 0.18 9 H 1 0.9838 -0.046 -0.1731 0.1785 0.3357 0.9249 -0.0156 0.9408 -0.3385 -0.007 0.0027 0.0042 -3.726 1.464 2.262 -1.33 0.522 0.807 -1.243 0.488 0.755 10 H 1 -0.2836 -0.2514 0.9254 0.7436 0.5517 0.3778 -0.6055 0.7953 0.0305 -0.0017 2.0E-4 0.0016 -0.925 0.082 0.843 -0.33 0.029 0.301 -0.309 0.028 0.281 11 H 1 0.9214 -0.0983 0.376 0.3235 0.7304 -0.6016 -0.2155 0.6759 0.7048 -0.0018 4.0E-4 0.0015 -0.971 0.19 0.781 -0.346 0.068 0.279 -0.324 0.063 0.261 12 H 1 0.9944 0.1033 0.0229 -0.104 0.9942 0.0285 -0.0198 -0.0307 0.9993 -0.0445 0.0215 0.023 -5.968 2.883 3.085 -2.13 1.029 1.101 -1.991 0.962 1.029 13 C 13 -0.1322 0.2103 0.9686 0.8264 -0.5162 0.2249 0.5473 0.8302 -0.1056 -0.0101 -0.0066 0.0166 -1.352 -0.882 2.234 -0.482 -0.315 0.797 -0.451 -0.294 0.745 14 C 13 -0.3693 0.7404 -0.5617 0.8182 0.5456 0.1814 -0.4408 0.3926 0.8072 -0.0165 -0.001 0.0174 -2.211 -0.131 2.341 -0.789 -0.047 0.835 -0.737 -0.044 0.781 15 C 13 -0.1861 0.9728 0.1377 0.8856 0.2268 -0.4053 0.4255 -0.0465 0.9038 -0.012 -0.0034 0.0154 -1.61 -0.46 2.069 -0.574 -0.164 0.738 -0.537 -0.153 0.69 16 C 13 0.7197 0.6882 -0.091 -0.1407 0.273 0.9517 0.6798 -0.6722 0.2933 -0.0023 -5.0E-4 0.0028 -0.312 -0.069 0.381 -0.111 -0.025 0.136 -0.104 -0.023 0.127 17 C 13 0.8294 -0.4512 0.3293 0.1916 0.7836 0.591 -0.5247 -0.427 0.7364 -0.0015 -6.0E-4 0.0021 -0.798 -0.31 1.108 -0.285 -0.111 0.395 -0.266 -0.103 0.37 18 H 1 0.8548 -0.5042 0.1232 -0.3283 -0.3414 0.8807 0.402 0.7933 0.4573 -0.0015 -4.0E-4 0.002 -0.803 -0.24 1.043 -0.286 -0.086 0.372 -0.268 -0.08 0.348 19 H 1 0.8653 -0.4265 -0.2635 -0.0391 -0.5814 0.8127 0.4998 0.6929 0.5197 -0.0031 -3.0E-4 0.0035 -0.422 -0.044 0.466 -0.151 -0.016 0.166 -0.141 -0.015 0.155 20 C 13 0.6256 -0.4976 0.6008 0.5486 0.8282 0.1146 -0.5546 0.2579 0.7911 -0.0024 -1.0E-4 0.0025 -1.295 -0.046 1.341 -0.462 -0.016 0.478 -0.432 -0.015 0.447 21 H 1 0.8414 0.0829 0.534 -0.4143 -0.5355 0.7359 -0.347 0.8405 0.4162 -0.0089 0.003 0.0059 -4.752 1.584 3.167 -1.695 0.565 1.13 -1.585 0.529 1.056 22 H 1 0.8245 -0.1791 0.5367 0.0034 0.9501 0.3118 -0.5658 -0.2552 0.7841 -0.0025 -5.0E-4 0.003 -0.336 -0.072 0.408 -0.12 -0.026 0.145 -0.112 -0.024 0.136 23 C 13 -0.5959 0.8012 0.055 0.6389 0.5145 -0.572 0.4866 0.3057 0.8184 -0.0017 -5.0E-4 0.0022 -0.907 -0.273 1.18 -0.324 -0.097 0.421 -0.302 -0.091 0.394 24 H 1 0.7756 -0.2531 -0.5783 0.5492 0.7222 0.4205 0.3112 -0.6437 0.6991 -0.0057 0.0013 0.0044 -3.03 0.687 2.342 -1.081 0.245 0.836 -1.011 0.229 0.781 25 H 1 -0.0659 0.9852 -0.1583 -0.0466 0.1554 0.9867 0.9967 0.0724 0.0357 -0.0981 -0.0975 0.1957 -13.167 -13.088 26.255 -4.698 -4.67 9.369 -4.392 -4.366 8.758 26 C 13 -0.4359 -0.0567 0.8982 0.8558 0.2828 0.4332 -0.2786 0.9575 -0.0747 -0.0013 -0.001 0.0023 -0.69 -0.557 1.247 -0.246 -0.199 0.445 -0.23 -0.186 0.416 27 H 1 0.1184 0.7042 0.7001 0.9717 0.0631 -0.2277 -0.2045 0.7072 -0.6768 -0.0014 -0.001 0.0024 -0.743 -0.546 1.288 -0.265 -0.195 0.46 -0.248 -0.182 0.43 28 H 1 0.7113 -0.6157 0.339 0.6947 0.5428 -0.472 0.1066 0.5713 0.8138 -0.0017 -0.001 0.0026 -0.882 -0.518 1.4 -0.315 -0.185 0.499 -0.294 -0.173 0.467 29 H 1 0.9968 -0.0714 -0.0349 0.0108 -0.3138 0.9494 0.0787 0.9468 0.312 -0.0016 -0.0012 0.0029 -0.862 -0.661 1.523 -0.308 -0.236 0.544 -0.288 -0.221 0.508 30 H 1 -0.5072 0.8275 -0.2407 0.8356 0.5406 0.0976 -0.2108 0.1517 0.9657 -0.0016 -0.001 0.0026 -0.861 -0.515 1.376 -0.307 -0.184 0.491 -0.287 -0.172 0.459 31 H 1 -9.94714020e-01 6.49489842e-01 -1.57720191e-01 2.53717369e+02 -2.33509422e+01 1.52209969e+02 2.79722983e+00 -1.05160103e+00 1.12760631e+02 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 6 6 6 6 1 6 6 1 1 1 1 1 6 6 6 6 6 1 1 6 1 1 6 1 1 6 1 1 1 1 1 1 -0.006183000 -0.004492781 0.000288332 0.002463009 0.000984378 -0.000071555 0.003861120 0.002972058 -0.000106049 -0.000227148 -0.000697387 -0.000307611 -0.000202511 0.000124286 0.000252721 0.000326450 0.000475216 0.000018737 -0.000285694 0.000109655 0.000055033 0.000157783 0.000022950 -0.000036023 0.000128180 -0.000011169 0.000027918 -0.000096435 -0.000057490 -0.000007381 -0.000030336 0.000043156 -0.000031215 -0.000063527 0.000093832 0.000000036 0.002711981 0.000100717 -0.000260657 0.000174422 0.000102829 -0.000000944 0.000479176 0.000115653 -0.000066405 0.000266838 -0.000014463 0.000087223 0.000026099 0.000368088 -0.000143856 0.000002279 -0.000008196 -0.000005458 0.000015784 -0.000006276 -0.000006780 0.000175658 -0.000268325 -0.000134150 0.000040393 0.000048810 -0.000020643 -0.000377111 0.000061155 0.000359047 0.000058741 -0.000088641 0.000321289 0.000037504 0.000020240 0.000000719 -0.000163672 -0.000041792 -0.000183223 -0.003419450 0.000046695 -0.000014289 0.000029595 -0.000029058 -0.000002285 0.000023228 -0.000019891 0.000013739 0.000023344 0.000032293 0.000029961 0.000009349 0.000003474 -0.000003722 0.000023144 0.000004256 -0.000042136 0.000014807 0.000005728 -0.000010370 0.006183000 0.001074253 (Enter /u/local/apps/gaussian/G16_C02/g16_avx2/l716.exe) 0.2434 Using compressed storage, NAtomX= 32. Will process 33 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=11111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 9614 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 3221225472 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=T KAlg= 0 I1Cent= 0 FoldK=F IRaf= 1 NMat= 96 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 96 NMatS0= 96 NMatT0= 0 NMatD0= 96 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 99 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 96 vectors produced by pass 0 Test12= 2.42D-14 1.01D-09 XBig12= 2.55D+02 7.56D+00. AX will form 96 AO Fock derivatives at one time. 96 vectors produced by pass 1 Test12= 2.42D-14 1.01D-09 XBig12= 2.82D+01 7.41D-01. 96 vectors produced by pass 2 Test12= 2.42D-14 1.01D-09 XBig12= 8.49D-01 2.12D-01. 96 vectors produced by pass 3 Test12= 2.42D-14 1.01D-09 XBig12= 2.13D-02 1.93D-02. 96 vectors produced by pass 4 Test12= 2.42D-14 1.01D-09 XBig12= 2.64D-04 1.92D-03. 96 vectors produced by pass 5 Test12= 2.42D-14 1.01D-09 XBig12= 3.42D-06 1.65D-04. 96 vectors produced by pass 6 Test12= 2.42D-14 1.01D-09 XBig12= 3.00D-08 1.39D-05. 57 vectors produced by pass 7 Test12= 2.42D-14 1.01D-09 XBig12= 2.30D-10 1.11D-06. 11 vectors produced by pass 8 Test12= 2.42D-14 1.01D-09 XBig12= 1.71D-12 1.07D-07. 3 vectors produced by pass 9 Test12= 2.42D-14 1.01D-09 XBig12= 1.49D-14 1.22D-08. InvSVY: IOpt=1 It= 1 EMax= 1.10D-14 Solved reduced A of dimension 743 with 99 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 169.43 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 0.2522 Using compressed storage, NAtomX= 32. Will process 33 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=11111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 9614 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 3221225472 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=T KAlg= 0 I1Cent= 0 FoldK=F IRaf= 1 NMat= 96 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 96 NMatS0= 96 NMatT0= 0 NMatD0= 96 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 99 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 96 vectors produced by pass 0 Test12= 2.42D-14 1.01D-09 XBig12= 2.55D+02 7.61D+00. AX will form 96 AO Fock derivatives at one time. 96 vectors produced by pass 1 Test12= 2.42D-14 1.01D-09 XBig12= 2.82D+01 7.53D-01. 96 vectors produced by pass 2 Test12= 2.42D-14 1.01D-09 XBig12= 8.63D-01 2.10D-01. 96 vectors produced by pass 3 Test12= 2.42D-14 1.01D-09 XBig12= 2.18D-02 1.93D-02. 96 vectors produced by pass 4 Test12= 2.42D-14 1.01D-09 XBig12= 2.73D-04 1.93D-03. 96 vectors produced by pass 5 Test12= 2.42D-14 1.01D-09 XBig12= 3.51D-06 2.06D-04. 96 vectors produced by pass 6 Test12= 2.42D-14 1.01D-09 XBig12= 3.11D-08 1.46D-05. 56 vectors produced by pass 7 Test12= 2.42D-14 1.01D-09 XBig12= 2.40D-10 1.13D-06. 11 vectors produced by pass 8 Test12= 2.42D-14 1.01D-09 XBig12= 1.80D-12 1.02D-07. 3 vectors produced by pass 9 Test12= 2.42D-14 1.01D-09 XBig12= 1.56D-14 1.12D-08. InvSVY: IOpt=1 It= 1 EMax= 5.43D-15 Solved reduced A of dimension 742 with 99 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 169.88 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 0.2649 Using compressed storage, NAtomX= 32. Will process 33 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=11111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 9614 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 3221225472 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=T KAlg= 0 I1Cent= 0 FoldK=F IRaf= 1 NMat= 96 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 96 NMatS0= 96 NMatT0= 0 NMatD0= 96 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 99 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 96 vectors produced by pass 0 Test12= 2.42D-14 1.01D-09 XBig12= 2.55D+02 7.57D+00. AX will form 96 AO Fock derivatives at one time. 96 vectors produced by pass 1 Test12= 2.42D-14 1.01D-09 XBig12= 2.80D+01 7.52D-01. 96 vectors produced by pass 2 Test12= 2.42D-14 1.01D-09 XBig12= 8.61D-01 2.11D-01. 96 vectors produced by pass 3 Test12= 2.42D-14 1.01D-09 XBig12= 2.17D-02 1.92D-02. 96 vectors produced by pass 4 Test12= 2.42D-14 1.01D-09 XBig12= 2.69D-04 1.90D-03. 96 vectors produced by pass 5 Test12= 2.42D-14 1.01D-09 XBig12= 3.47D-06 2.17D-04. 96 vectors produced by pass 6 Test12= 2.42D-14 1.01D-09 XBig12= 3.05D-08 1.43D-05. 57 vectors produced by pass 7 Test12= 2.42D-14 1.01D-09 XBig12= 2.32D-10 1.11D-06. 11 vectors produced by pass 8 Test12= 2.42D-14 1.01D-09 XBig12= 1.75D-12 9.81D-08. 3 vectors produced by pass 9 Test12= 2.42D-14 1.01D-09 XBig12= 1.50D-14 1.01D-08. InvSVY: IOpt=1 It= 1 EMax= 7.11D-15 Solved reduced A of dimension 743 with 99 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 169.72 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 0.2639 Using compressed storage, NAtomX= 32. Will process 33 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=11111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 9614 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 3221225472 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=T KAlg= 0 I1Cent= 0 FoldK=F IRaf= 1 NMat= 96 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 96 NMatS0= 96 NMatT0= 0 NMatD0= 96 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 99 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 96 vectors produced by pass 0 Test12= 2.42D-14 1.01D-09 XBig12= 2.55D+02 7.57D+00. AX will form 96 AO Fock derivatives at one time. 96 vectors produced by pass 1 Test12= 2.42D-14 1.01D-09 XBig12= 2.80D+01 7.53D-01. 96 vectors produced by pass 2 Test12= 2.42D-14 1.01D-09 XBig12= 8.61D-01 2.11D-01. 96 vectors produced by pass 3 Test12= 2.42D-14 1.01D-09 XBig12= 2.17D-02 1.92D-02. 96 vectors produced by pass 4 Test12= 2.42D-14 1.01D-09 XBig12= 2.70D-04 1.91D-03. 96 vectors produced by pass 5 Test12= 2.42D-14 1.01D-09 XBig12= 3.48D-06 2.20D-04. 96 vectors produced by pass 6 Test12= 2.42D-14 1.01D-09 XBig12= 3.07D-08 1.44D-05. 57 vectors produced by pass 7 Test12= 2.42D-14 1.01D-09 XBig12= 2.34D-10 1.10D-06. 11 vectors produced by pass 8 Test12= 2.42D-14 1.01D-09 XBig12= 1.74D-12 9.74D-08. 3 vectors produced by pass 9 Test12= 2.42D-14 1.01D-09 XBig12= 1.49D-14 1.02D-08. InvSVY: IOpt=1 It= 1 EMax= 1.07D-14 Solved reduced A of dimension 743 with 99 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 169.73 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 0.2644 Using compressed storage, NAtomX= 32. Will process 33 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=11111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 9614 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 3221225472 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=T KAlg= 0 I1Cent= 0 FoldK=F IRaf= 1 NMat= 96 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 96 NMatS0= 96 NMatT0= 0 NMatD0= 96 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 99 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 96 vectors produced by pass 0 Test12= 2.42D-14 1.01D-09 XBig12= 2.54D+02 7.57D+00. AX will form 96 AO Fock derivatives at one time. 96 vectors produced by pass 1 Test12= 2.42D-14 1.01D-09 XBig12= 2.80D+01 7.52D-01. 96 vectors produced by pass 2 Test12= 2.42D-14 1.01D-09 XBig12= 8.61D-01 2.11D-01. 96 vectors produced by pass 3 Test12= 2.42D-14 1.01D-09 XBig12= 2.17D-02 1.92D-02. 96 vectors produced by pass 4 Test12= 2.42D-14 1.01D-09 XBig12= 2.72D-04 1.93D-03. 96 vectors produced by pass 5 Test12= 2.42D-14 1.01D-09 XBig12= 3.51D-06 2.24D-04. 96 vectors produced by pass 6 Test12= 2.42D-14 1.01D-09 XBig12= 3.10D-08 1.47D-05. 56 vectors produced by pass 7 Test12= 2.42D-14 1.01D-09 XBig12= 2.37D-10 1.12D-06. 11 vectors produced by pass 8 Test12= 2.42D-14 1.01D-09 XBig12= 1.75D-12 9.60D-08. 3 vectors produced by pass 9 Test12= 2.42D-14 1.01D-09 XBig12= 1.48D-14 1.02D-08. InvSVY: IOpt=1 It= 1 EMax= 7.16D-15 Solved reduced A of dimension 742 with 99 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 169.74 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 0.2656 Using compressed storage, NAtomX= 32. Will process 33 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=11111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 9614 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 3221225472 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=T KAlg= 0 I1Cent= 0 FoldK=F IRaf= 1 NMat= 96 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 96 NMatS0= 96 NMatT0= 0 NMatD0= 96 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 99 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 96 vectors produced by pass 0 Test12= 2.42D-14 1.01D-09 XBig12= 2.54D+02 7.57D+00. AX will form 96 AO Fock derivatives at one time. 96 vectors produced by pass 1 Test12= 2.42D-14 1.01D-09 XBig12= 2.79D+01 7.54D-01. 96 vectors produced by pass 2 Test12= 2.42D-14 1.01D-09 XBig12= 8.61D-01 2.10D-01. 96 vectors produced by pass 3 Test12= 2.42D-14 1.01D-09 XBig12= 2.17D-02 1.92D-02. 96 vectors produced by pass 4 Test12= 2.42D-14 1.01D-09 XBig12= 2.69D-04 1.91D-03. 96 vectors produced by pass 5 Test12= 2.42D-14 1.01D-09 XBig12= 3.48D-06 2.26D-04. 96 vectors produced by pass 6 Test12= 2.42D-14 1.01D-09 XBig12= 3.10D-08 1.43D-05. 57 vectors produced by pass 7 Test12= 2.42D-14 1.01D-09 XBig12= 2.38D-10 1.16D-06. 11 vectors produced by pass 8 Test12= 2.42D-14 1.01D-09 XBig12= 1.80D-12 9.66D-08. 3 vectors produced by pass 9 Test12= 2.42D-14 1.01D-09 XBig12= 1.54D-14 1.03D-08. InvSVY: IOpt=1 It= 1 EMax= 7.11D-15 Solved reduced A of dimension 743 with 99 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 169.71 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 0.2661 Using compressed storage, NAtomX= 32. Will process 33 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=11111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 9614 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 3221225472 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=T KAlg= 0 I1Cent= 0 FoldK=F IRaf= 1 NMat= 96 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 96 NMatS0= 96 NMatT0= 0 NMatD0= 96 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 99 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 96 vectors produced by pass 0 Test12= 2.42D-14 1.01D-09 XBig12= 2.54D+02 7.57D+00. AX will form 96 AO Fock derivatives at one time. 96 vectors produced by pass 1 Test12= 2.42D-14 1.01D-09 XBig12= 2.79D+01 7.53D-01. 96 vectors produced by pass 2 Test12= 2.42D-14 1.01D-09 XBig12= 8.61D-01 2.10D-01. 96 vectors produced by pass 3 Test12= 2.42D-14 1.01D-09 XBig12= 2.17D-02 1.92D-02. 96 vectors produced by pass 4 Test12= 2.42D-14 1.01D-09 XBig12= 2.70D-04 1.92D-03. 96 vectors produced by pass 5 Test12= 2.42D-14 1.01D-09 XBig12= 3.50D-06 2.26D-04. 96 vectors produced by pass 6 Test12= 2.42D-14 1.01D-09 XBig12= 3.11D-08 1.45D-05. 57 vectors produced by pass 7 Test12= 2.42D-14 1.01D-09 XBig12= 2.39D-10 1.15D-06. 11 vectors produced by pass 8 Test12= 2.42D-14 1.01D-09 XBig12= 1.79D-12 9.79D-08. 3 vectors produced by pass 9 Test12= 2.42D-14 1.01D-09 XBig12= 1.52D-14 1.03D-08. InvSVY: IOpt=1 It= 1 EMax= 8.88D-15 Solved reduced A of dimension 743 with 99 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 169.71 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 0.2659 Using compressed storage, NAtomX= 32. Will process 33 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=11111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 9614 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 3221225472 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=T KAlg= 0 I1Cent= 0 FoldK=F IRaf= 1 NMat= 96 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 96 NMatS0= 96 NMatT0= 0 NMatD0= 96 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 99 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 96 vectors produced by pass 0 Test12= 2.42D-14 1.01D-09 XBig12= 2.54D+02 7.57D+00. AX will form 96 AO Fock derivatives at one time. 96 vectors produced by pass 1 Test12= 2.42D-14 1.01D-09 XBig12= 2.79D+01 7.53D-01. 96 vectors produced by pass 2 Test12= 2.42D-14 1.01D-09 XBig12= 8.61D-01 2.10D-01. 96 vectors produced by pass 3 Test12= 2.42D-14 1.01D-09 XBig12= 2.17D-02 1.92D-02. 96 vectors produced by pass 4 Test12= 2.42D-14 1.01D-09 XBig12= 2.71D-04 1.93D-03. 96 vectors produced by pass 5 Test12= 2.42D-14 1.01D-09 XBig12= 3.51D-06 2.26D-04. 96 vectors produced by pass 6 Test12= 2.42D-14 1.01D-09 XBig12= 3.12D-08 1.45D-05. 57 vectors produced by pass 7 Test12= 2.42D-14 1.01D-09 XBig12= 2.39D-10 1.15D-06. 11 vectors produced by pass 8 Test12= 2.42D-14 1.01D-09 XBig12= 1.78D-12 9.79D-08. 3 vectors produced by pass 9 Test12= 2.42D-14 1.01D-09 XBig12= 1.52D-14 1.03D-08. InvSVY: IOpt=1 It= 1 EMax= 6.26D-15 Solved reduced A of dimension 743 with 99 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 169.72 Bohr**3. End of Minotr F.D. properties file 721 does not exist. open 1 1 1 -543.322936108123 -543.385122831748 -0.062186723625 -543.451545122330 -0.066422290582 -543.471985216161 -0.020440093831 -543.475484291515 -0.003499075353 -543.477963811846 -0.002479520331 -543.478858669916 -0.000894858070 -543.479377870929 -0.000519201013 -543.479535256315 -0.000157385386 -543.479629412413 -0.000094156099 -543.479693606681 -0.000064194268 -543.479719581421 -0.000025974740 -543.479733149912 -0.000013568491 -543.479742848841 -0.000009698929 -543.479747027332 -0.000004178491 -543.479749657909 -0.000002630577 -543.479751136067 -0.000001478157 -543.479752061174 -0.000000925107 -543.479752554487 -0.000000493313 -543.479752598567 -0.000000044080 -543.479752602552 -0.000000003985 -543.479752603364 -0.000000000812 -543.479752603517 -0.000000000154 -543.479752603547 -0.000000000030 -543.479752603548 -0.000000000001 -543.479752603553 -0.000000000005 -543.479752604 26 0.2658 5.369191258300e+02 -3.028183679474e+03 1.061513524045e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3221225472 LenX= 3221037690 LenY= 3220947249 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 0.2658 Using compressed storage, NAtomX= 32. Will process 33 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=11111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 9614 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 3221225472 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=T KAlg= 0 I1Cent= 0 FoldK=F IRaf= 1 NMat= 96 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 96 NMatS0= 96 NMatT0= 0 NMatD0= 96 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 99 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 96 vectors produced by pass 0 Test12= 2.42D-14 1.01D-09 XBig12= 2.54D+02 7.57D+00. AX will form 96 AO Fock derivatives at one time. 96 vectors produced by pass 1 Test12= 2.42D-14 1.01D-09 XBig12= 2.79D+01 7.53D-01. 96 vectors produced by pass 2 Test12= 2.42D-14 1.01D-09 XBig12= 8.61D-01 2.10D-01. 96 vectors produced by pass 3 Test12= 2.42D-14 1.01D-09 XBig12= 2.17D-02 1.92D-02. 96 vectors produced by pass 4 Test12= 2.42D-14 1.01D-09 XBig12= 2.71D-04 1.93D-03. 96 vectors produced by pass 5 Test12= 2.42D-14 1.01D-09 XBig12= 3.51D-06 2.26D-04. 96 vectors produced by pass 6 Test12= 2.42D-14 1.01D-09 XBig12= 3.12D-08 1.45D-05. 57 vectors produced by pass 7 Test12= 2.42D-14 1.01D-09 XBig12= 2.39D-10 1.15D-06. 11 vectors produced by pass 8 Test12= 2.42D-14 1.01D-09 XBig12= 1.78D-12 9.79D-08. 3 vectors produced by pass 9 Test12= 2.42D-14 1.01D-09 XBig12= 1.52D-14 1.03D-08. InvSVY: IOpt=1 It= 1 EMax= 5.33D-15 Solved reduced A of dimension 743 with 99 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 169.72 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 246.631 -19.021 149.720 1.867 -1.114 112.803 226.222 -19.823 182.154 1.923 -2.620 132.655 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 C C C C H C C H H H H H C C C C C H H C H H C H H C H H H H H H 13 13 13 13 1 13 13 1 1 1 1 1 13 13 13 13 13 1 1 13 1 1 13 1 1 13 1 1 1 1 1 1 0.14140 -0.04732 -0.26811 0.02835 0.00547 0.00878 -0.02799 -0.00072 -0.00234 -0.00415 0.00244 0.00001 0.00801 0.03993 0.05537 0.05825 -0.01487 0.00025 0.00021 -0.01477 0.00002 0.00012 -0.01471 0.00002 0.00001 0.08844 0.00083 0.00080 0.00071 0.00061 0.00067 0.00062 79.48177 -26.59579 -150.70278 15.93289 12.22398 4.93260 -15.73408 -1.61741 -5.22123 -9.28542 5.44999 0.03245 4.50059 22.44574 31.12267 32.73935 -8.35845 0.56925 0.46879 -8.29981 0.04430 0.27684 -8.27111 0.03655 0.02339 49.70944 1.86566 1.79276 1.59464 1.36222 1.50145 1.38874 28.36107 -9.49004 -53.77450 5.68525 4.36182 1.76007 -5.61431 -0.57713 -1.86306 -3.31327 1.94469 0.01158 1.60592 8.00920 11.10534 11.68221 -2.98250 0.20312 0.16728 -2.96158 0.01581 0.09878 -2.95134 0.01304 0.00835 17.73756 0.66571 0.63970 0.56901 0.48607 0.53576 0.49554 26.51226 -8.87140 -50.26904 5.31464 4.07748 1.64534 -5.24833 -0.53951 -1.74161 -3.09728 1.81792 0.01082 1.50124 7.48709 10.38141 10.92067 -2.78808 0.18988 0.15637 -2.76852 0.01478 0.09234 -2.75895 0.01219 0.00780 16.58128 0.62232 0.59800 0.53192 0.45439 0.50083 0.46324 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 0.287323 0.052223 -0.041003 0.025627 0.002941 -0.089105 -0.000496 -0.000100 -0.000013 -0.010642 0.000874 -0.002475 -0.066939 0.000137 0.001655 -0.001430 -0.000710 -0.000938 -0.001067 -0.002474 -0.000194 -0.004664 -0.001694 -0.000637 -0.006410 0.287243 -0.001154 -0.001221 -0.001721 -0.002169 -0.001526 -0.002073 -0.226368 0.044129 -0.049870 -0.012239 -0.002467 -0.029126 -0.016500 -0.000091 -0.001606 0.006605 0.001667 0.001448 0.031889 0.015658 -0.010395 -0.015677 0.000895 0.000141 0.000768 0.000954 -0.001622 0.006178 0.000242 -0.002115 0.005353 -0.143249 0.002942 0.002128 -0.001385 0.002302 -0.002040 0.000886 -0.060954 -0.096352 0.090873 -0.013388 -0.000474 0.118231 0.016996 0.000190 0.001619 0.004036 -0.002541 0.001028 0.035050 -0.015794 0.008740 0.017107 -0.000184 0.000797 0.000299 0.001519 0.001816 -0.001514 0.001451 0.002752 0.001057 -0.143993 -0.001789 -0.000908 0.003106 -0.000133 0.003567 0.001188 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 -0.031984 -0.006319 -0.329639 -0.001961 0.007631 0.004907 -0.028036 0.000276 -0.000168 0.000851 -0.001392 -0.000042 -0.008753 0.015283 -0.001918 0.002481 -0.003493 0.001416 0.001342 0.002407 0.000984 -0.001285 0.002005 0.001655 0.000628 0.033192 -0.001309 -0.001027 0.000646 0.000444 0.000614 0.000730 -0.012208 -0.015364 0.085413 0.002929 -0.000335 0.038337 0.011366 -0.000250 0.000631 0.002571 0.000922 -0.001586 -0.004878 -0.000172 -0.013331 0.011012 0.000315 -0.001291 0.000822 0.002339 -0.002549 -0.007006 -0.003159 0.001813 0.006319 0.021592 -0.000097 0.000431 0.000333 0.000121 -0.001078 -0.000583 0.007668 -0.018320 0.087082 0.000956 -0.000796 0.029645 0.012948 -0.001189 -0.000113 -0.000848 0.000806 0.001029 -0.000254 -0.001570 0.014793 -0.009655 -0.000361 -0.001510 0.001679 0.001547 0.001102 0.001447 -0.001073 -0.000113 -0.002886 0.001765 0.001006 -0.002183 0.001893 0.002736 -0.000533 -0.002904 0.0608 0.9973 -0.0412 0.0386 0.0389 0.9985 0.9974 -0.0623 -0.0361 -0.2286 -0.0611 0.2898 -30.681 -8.203 38.883 -10.948 -2.927 13.875 -10.234 -2.736 12.97 1 C 13 0.1046 0.1296 0.986 0.413 0.8963 -0.1616 0.9047 -0.4241 -0.0403 -0.1004 0.0445 0.0559 -13.471 5.974 7.497 -4.807 2.132 2.675 -4.494 1.993 2.501 2 C 13 0.6819 0.6913 -0.2388 0.1693 0.1685 0.9711 0.7116 -0.7026 -0.0021 -0.4051 0.1209 0.2842 -54.361 16.22 38.141 -19.397 5.788 13.61 -18.133 5.41 12.723 3 C 13 -0.0879 -0.4984 0.8625 0.0062 0.8655 0.5008 0.9961 -0.0493 0.073 -0.0142 -0.0117 0.0259 -1.911 -1.57 3.481 -0.682 -0.56 1.242 -0.637 -0.524 1.161 4 C 13 -0.5737 0.8167 0.0618 0.1031 -0.0029 0.9947 0.8126 0.577 -0.0825 -0.0079 -5.0E-4 0.0084 -4.208 -0.27 4.478 -1.502 -0.096 1.598 -1.404 -0.09 1.494 5 H 1 0.9842 0.0063 -0.177 -0.0388 0.9828 -0.1807 0.1728 0.1847 0.9675 -0.096 -0.0348 0.1307 -12.878 -4.666 17.544 -4.595 -1.665 6.26 -4.296 -1.556 5.852 6 C 13 0.5832 0.7636 -0.2771 -0.5944 0.6336 0.4952 0.5537 -0.1241 0.8234 -0.0426 0.0199 0.0227 -5.718 2.673 3.045 -2.04 0.954 1.086 -1.907 0.892 1.016 7 C 13 -0.041 0.751 0.6591 0.9677 -0.1344 0.2133 -0.2487 -0.6465 0.7212 -0.0011 -2.0E-4 0.0013 -0.613 -0.103 0.716 -0.219 -0.037 0.255 -0.204 -0.034 0.239 8 H 1 0.098 0.9951 0.0155 0.9404 -0.0875 -0.3286 0.3256 -0.0467 0.9443 -0.0016 -2.0E-4 0.0018 -0.866 -0.116 0.983 -0.309 -0.042 0.351 -0.289 -0.039 0.328 9 H 1 0.9839 -0.0553 -0.1699 0.1786 0.2781 0.9438 0.005 0.959 -0.2835 -0.0111 0.0043 0.0069 -5.94 2.28 3.66 -2.12 0.814 1.306 -1.981 0.76 1.221 10 H 1 -0.3029 -0.2463 0.9207 0.7435 0.5433 0.3899 -0.5962 0.8026 0.0186 -0.0031 3.0E-4 0.0027 -1.633 0.181 1.451 -0.583 0.065 0.518 -0.545 0.06 0.484 11 H 1 0.9247 -0.0756 0.3731 0.3048 0.7341 -0.6068 -0.228 0.6748 0.7019 -0.0031 6.0E-4 0.0025 -1.66 0.309 1.351 -0.592 0.11 0.482 -0.554 0.103 0.451 12 H 1 0.9951 0.0874 0.0473 -0.0842 0.9943 -0.0657 -0.0528 0.0614 0.9967 -0.0679 0.0326 0.0353 -9.117 4.381 4.736 -3.253 1.563 1.69 -3.041 1.461 1.58 13 C 13 -0.0676 0.0822 0.9943 0.8502 -0.5169 0.1005 0.5222 0.8521 -0.0349 -0.0159 -0.0092 0.0251 -2.135 -1.231 3.366 -0.762 -0.439 1.201 -0.712 -0.411 1.123 14 C 13 -0.2643 0.7996 -0.5392 0.8255 0.4767 0.3023 -0.4987 0.3652 0.7861 -0.0197 -0.0043 0.0241 -2.648 -0.582 3.23 -0.945 -0.208 1.153 -0.883 -0.194 1.077 15 C 13 -0.3109 0.8934 0.3243 0.873 0.4034 -0.2743 0.3759 -0.1978 0.9053 -0.02 -0.0037 0.0238 -2.69 -0.502 3.192 -0.96 -0.179 1.139 -0.897 -0.168 1.065 16 C 13 0.7825 0.6226 -0.0067 -0.0702 0.099 0.9926 -0.6186 0.7763 -0.1212 -0.0035 -2.0E-4 0.0037 -0.469 -0.033 0.501 -0.167 -0.012 0.179 -0.156 -0.011 0.167 17 C 13 0.8631 -0.4856 0.1391 0.2477 0.6468 0.7213 -0.4402 -0.5881 0.6785 -0.0019 -0.001 0.0029 -1.036 -0.534 1.57 -0.37 -0.19 0.56 -0.346 -0.178 0.524 18 H 1 0.8675 -0.4943 0.0561 -0.3326 -0.4923 0.8044 0.3699 0.7165 0.5915 -0.0018 -0.0011 0.0028 -0.949 -0.57 1.519 -0.338 -0.203 0.542 -0.316 -0.19 0.507 19 H 1 0.8977 -0.341 -0.279 0.0609 0.7232 -0.6879 0.4364 0.6005 0.67 -0.0041 -3.0E-4 0.0044 -0.552 -0.042 0.594 -0.197 -0.015 0.212 -0.184 -0.014 0.198 20 C 13 -0.5929 0.6703 -0.4463 0.5928 0.7384 0.3216 -0.5451 0.0738 0.8351 -0.0032 -4.0E-4 0.0036 -1.721 -0.188 1.909 -0.614 -0.067 0.681 -0.574 -0.063 0.637 21 H 1 0.7813 0.0061 0.6241 -0.5336 -0.5123 0.673 -0.3239 0.8588 0.397 -0.0103 0.0029 0.0073 -5.48 1.568 3.912 -1.955 0.56 1.396 -1.828 0.523 1.305 22 H 1 0.8513 -0.2921 0.4359 0.0195 0.8478 0.5299 -0.5244 -0.4426 0.7274 -0.004 -4.0E-4 0.0044 -0.537 -0.051 0.588 -0.191 -0.018 0.21 -0.179 -0.017 0.196 23 C 13 -0.5933 0.7824 0.1893 0.6831 0.6138 -0.3959 0.4259 0.1056 0.8986 -0.0034 -2.0E-4 0.0036 -1.813 -0.107 1.92 -0.647 -0.038 0.685 -0.605 -0.036 0.64 24 H 1 0.8519 -0.128 -0.5078 0.4679 0.6215 0.6283 -0.2352 0.7729 -0.5894 -0.0103 0.0029 0.0074 -5.48 1.552 3.929 -1.955 0.554 1.402 -1.828 0.518 1.31 25 H 1 -0.0683 0.9869 -0.1464 -0.0603 0.1424 0.988 0.9958 0.0763 0.0498 -0.1458 -0.1451 0.2909 -19.566 -19.465 39.031 -6.982 -6.946 13.927 -6.527 -6.493 13.019 26 C 13 -0.2832 -0.2606 0.923 0.9206 0.1961 0.3378 -0.269 0.9453 0.1843 -0.002 -0.0015 0.0035 -1.09 -0.783 1.873 -0.389 -0.279 0.668 -0.364 -0.261 0.625 27 H 1 0.1514 0.4855 0.861 0.9619 0.1282 -0.2414 -0.2276 0.8648 -0.4476 -0.0021 -0.0015 0.0035 -1.101 -0.782 1.883 -0.393 -0.279 0.672 -0.367 -0.261 0.628 28 H 1 -0.5912 0.7735 -0.2286 0.8008 0.5291 -0.2807 0.0961 0.349 0.9322 -0.0024 -0.0014 0.0038 -1.301 -0.753 2.054 -0.464 -0.269 0.733 -0.434 -0.251 0.685 29 H 1 0.925 -0.2577 0.2793 -0.3736 -0.482 0.7926 0.0697 0.8374 0.5421 -0.0023 -0.0019 0.0041 -1.204 -0.989 2.193 -0.429 -0.353 0.782 -0.401 -0.33 0.731 30 H 1 -0.5765 0.8165 -0.0309 0.7904 0.5669 0.2322 -0.2071 -0.1094 0.9722 -0.0025 -0.0014 0.0039 -1.309 -0.748 2.058 -0.467 -0.267 0.734 -0.437 -0.25 0.686 31 H 1 (Enter /u/local/apps/gaussian/G16_C02/g16_avx2/l716.exe) Rotating derivatives to standard orientation. PT83567.500S Mon Jun 30 05:01:08 2025 -10.32744 -10.30903 -10.30622 -10.30439 -10.30342 -10.30301 -10.30196 -10.30141 -10.30136 -10.29763 -10.29595 -10.29181 -10.29101 -10.26641 -1.00576 -0.92449 -0.85985 -0.85687 -0.82605 -0.81302 -0.79305 -0.70414 -0.69765 -0.69014 -0.67576 -0.66600 -0.58334 -0.58111 -0.56686 -0.55015 -0.54133 -0.52070 -0.51643 -0.51459 -0.50998 -0.50183 -0.49967 -0.47159 -0.47151 -0.44092 -0.43876 -0.42958 -0.42313 -0.41947 -0.41536 -0.38363 -0.37792 -0.37698 -0.32457 -0.27226 -0.24288 0.00638 0.05254 0.12555 0.14057 0.14319 0.14724 0.15965 0.17125 0.17835 0.18659 0.19249 0.19511 0.19613 0.20879 0.21573 0.21787 0.22341 0.23291 0.24599 0.25653 0.26078 0.26795 0.28365 0.30023 0.30643 0.31025 0.31153 0.31431 0.32107 0.33037 0.37233 0.38845 0.42173 0.43860 0.44015 0.44536 0.45410 0.46169 0.46420 0.49715 0.50768 0.52825 0.54735 0.55718 0.56567 0.56764 0.57848 0.58765 0.61719 0.62322 0.63110 0.63322 0.64249 0.65137 0.65582 0.66469 0.66864 0.67713 0.68581 0.69119 0.70178 0.71057 0.71472 0.73014 0.73181 0.73270 0.74765 0.75011 0.75439 0.76054 0.76099 0.76335 0.77022 0.77893 0.78211 0.78484 0.78653 0.79256 0.79824 0.80467 0.81141 0.82171 0.83033 0.84176 0.85202 0.85562 0.85923 0.86164 0.89099 0.89539 0.91062 0.92901 0.93970 0.95701 0.98233 0.99824 1.00877 1.05448 1.10780 1.12786 1.13851 1.16024 1.16872 1.19237 1.23145 1.26827 1.27729 1.28747 1.29791 1.30525 1.31659 1.35756 1.36633 1.38125 1.41490 1.42909 1.44432 1.53110 1.55506 1.56169 1.56789 1.57681 1.62057 1.65356 1.66499 1.68190 1.68283 1.70336 1.70779 1.70881 1.74735 1.76956 1.78643 1.80453 1.80595 1.81222 1.82058 1.83324 1.83600 1.84213 1.84810 1.85702 1.86090 1.86993 1.89134 1.89294 1.89568 1.90768 1.90924 1.91466 1.92106 1.93058 1.93274 1.94213 1.95956 1.96380 1.98040 1.98594 1.99372 2.00423 2.01285 2.01898 2.03500 2.06059 2.07836 2.08433 2.09101 2.11989 2.12838 2.14419 2.14671 2.16077 2.16569 2.18796 2.19962 2.20078 2.20952 2.24086 2.24634 2.28620 2.29073 2.31558 2.35107 2.37674 2.38343 2.39451 2.40030 2.41403 2.41957 2.42719 2.43237 2.45667 2.46813 2.47866 2.49751 2.51506 2.51900 2.53559 2.54711 2.57384 2.64161 2.64764 2.65525 2.68483 2.69860 2.70116 2.77030 2.78681 2.80608 2.81992 2.83137 2.86359 2.90058 2.92082 2.92190 2.93180 2.94439 2.95374 2.96132 2.97215 2.97827 2.99935 3.01929 3.02449 3.03065 3.05223 3.09015 3.10474 3.13182 3.15362 3.17482 3.19879 3.22608 3.23331 3.46165 -10.32380 -10.30985 -10.30563 -10.30468 -10.30278 -10.30234 -10.30170 -10.30164 -10.29943 -10.29730 -10.29540 -10.29168 -10.29074 -10.27290 -1.00128 -0.92498 -0.85883 -0.85583 -0.82368 -0.81721 -0.79153 -0.70389 -0.69705 -0.68659 -0.67718 -0.66651 -0.58255 -0.58035 -0.56465 -0.55104 -0.54010 -0.51936 -0.51586 -0.51325 -0.50912 -0.50168 -0.50135 -0.47123 -0.47112 -0.44184 -0.44078 -0.42885 -0.42286 -0.41981 -0.41524 -0.38461 -0.37667 -0.37514 -0.31697 -0.27381 -0.26422 0.00531 0.05182 0.12576 0.14096 0.14512 0.14691 0.16285 0.17200 0.17875 0.18736 0.19278 0.19468 0.19676 0.21116 0.21471 0.21791 0.22387 0.23237 0.24606 0.25618 0.26055 0.26790 0.28406 0.30113 0.30743 0.31082 0.31228 0.31480 0.32081 0.33024 0.37185 0.38927 0.42188 0.43827 0.44035 0.44491 0.45468 0.46184 0.46276 0.49788 0.50809 0.52753 0.54808 0.55986 0.56623 0.56740 0.57824 0.58590 0.61674 0.62306 0.62877 0.63254 0.64426 0.65218 0.65580 0.66609 0.66911 0.67847 0.68581 0.69320 0.70189 0.70905 0.71258 0.73023 0.73182 0.73270 0.74715 0.74978 0.75456 0.76068 0.76092 0.76344 0.76945 0.77888 0.78231 0.78522 0.78658 0.79207 0.79825 0.80390 0.81160 0.82205 0.82925 0.84187 0.85266 0.85683 0.86042 0.86291 0.89006 0.89560 0.90951 0.92883 0.93707 0.95708 0.98288 0.99873 1.00919 1.05388 1.10805 1.12668 1.14044 1.16048 1.16928 1.19314 1.23425 1.27157 1.28000 1.28781 1.29940 1.30536 1.31655 1.35760 1.36634 1.38180 1.41590 1.42931 1.44461 1.52484 1.55556 1.56272 1.56851 1.57751 1.62059 1.65512 1.66649 1.68225 1.68327 1.70369 1.70768 1.71064 1.74669 1.76837 1.78621 1.80446 1.80643 1.81148 1.82013 1.83236 1.83655 1.84203 1.84782 1.85681 1.86098 1.86990 1.89135 1.89330 1.89599 1.90792 1.90959 1.91263 1.92121 1.93017 1.93291 1.94216 1.95960 1.96182 1.98038 1.98604 1.99416 2.00432 2.01156 2.01864 2.03530 2.06197 2.07850 2.08398 2.08984 2.12113 2.12866 2.14440 2.14754 2.16311 2.16485 2.19063 2.19992 2.20247 2.21088 2.23963 2.24509 2.28680 2.29107 2.31520 2.35070 2.37727 2.38454 2.39329 2.39969 2.41400 2.41946 2.42793 2.43367 2.45570 2.46847 2.47819 2.49809 2.51404 2.51860 2.53576 2.54623 2.57526 2.64080 2.64766 2.65573 2.68447 2.69936 2.70189 2.77090 2.78541 2.80553 2.82096 2.83229 2.86443 2.89938 2.92165 2.92273 2.93155 2.94403 2.95423 2.96158 2.97170 2.97840 3.00174 3.01960 3.02491 3.03148 3.05313 3.08956 3.10448 3.13248 3.15388 3.16979 3.19943 3.22664 3.23382 3.45879 1-A. -7.09903252e-01 5.26916267e-01 -1.42108448e-01 2.46630794e+02 -1.90213840e+01 1.49719572e+02 1.86685212e+00 -1.11413696e+00 1.12802961e+02 -901.3372 -11.9725 -2.0713 -0.0002 0.0003 0.0005 7.6128 15.6038 50.0496 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -901.3371 15.5867 49.9299 79.7465 131.2212 156.1710 171.3560 203.9996 214.0428 250.5562 304.6151 307.7192 364.6908 369.1231 464.7626 559.8910 562.1502 580.2477 581.6852 611.1725 634.5913 746.0777 753.5819 754.7741 758.8893 772.7661 828.8943 852.8703 867.7084 907.5252 911.1098 938.6930 939.9616 941.3076 983.5907 986.4155 999.2818 1025.5099 1045.4627 1060.8522 1063.5131 1074.2301 1095.4047 1169.8220 1197.2373 1198.6922 1206.8371 1226.7448 1250.8239 1251.2958 1264.6468 1267.6874 1275.6150 1282.8017 1289.6210 1303.6986 1319.4453 1327.0096 1333.2498 1350.1820 1350.8232 1385.4119 1437.4503 1440.3018 1447.5247 1452.5795 1462.0245 1468.0349 1468.3031 1482.8172 1655.4503 1762.3733 3009.5179 3013.4547 3052.3423 3056.4538 3068.4206 3074.6787 3075.2533 3076.5366 3104.9917 3108.6002 3130.0449 3132.3318 3136.2460 3144.5160 3147.8865 3150.5739 3177.5118 3209.6935 11.1085 3.3809 3.3556 1.7608 3.6183 3.3157 3.4629 3.3975 2.1308 2.3321 1.9868 1.8905 2.5417 2.6451 4.5494 3.4433 2.6503 3.1314 5.6263 5.1677 2.7462 1.1552 2.1989 1.1978 1.3826 1.8057 1.2935 2.8747 2.2926 3.4335 1.5956 2.3216 2.0195 2.0234 2.4157 2.3816 2.6374 1.9929 2.3382 1.4472 1.4760 1.0752 2.1838 1.1116 1.7384 1.7577 1.4127 1.1540 1.2371 1.2629 1.4678 1.3979 1.4283 1.3011 1.3810 2.1062 1.3989 2.0415 1.5142 2.7650 2.8312 1.5217 1.0873 1.0837 1.0816 1.0873 1.1155 1.1580 1.1582 1.1148 7.8143 9.6913 1.0736 1.0677 1.0606 1.0605 1.0588 1.0621 1.0612 1.0624 1.0924 1.0972 1.1112 1.1119 1.1120 1.1099 1.1101 1.1100 1.0927 1.0919 5.3172 0.0005 0.0049 0.0066 0.0367 0.0476 0.0599 0.0833 0.0575 0.0863 0.1086 0.1055 0.1992 0.2123 0.5790 0.6360 0.4935 0.6212 1.1216 1.1373 0.6516 0.3789 0.7357 0.4020 0.4691 0.6353 0.5236 1.2320 1.0170 1.6661 0.7804 1.2052 1.0513 1.0563 1.3770 1.3653 1.5517 1.2349 1.5057 0.9596 0.9836 0.7311 1.5439 0.8963 1.4682 1.4881 1.2122 1.0232 1.1404 1.1651 1.3831 1.3236 1.3694 1.2615 1.3532 2.1092 1.4349 2.1181 1.5859 2.9698 3.0438 1.7208 1.3237 1.3245 1.3352 1.3517 1.4049 1.4704 1.4711 1.4442 12.6174 17.7348 5.7293 5.7126 5.8221 5.8368 5.8732 5.9157 5.9128 5.9248 6.2053 6.2469 6.4144 6.4276 6.4444 6.4661 6.4813 6.4914 6.4999 6.6279 328.7153 0.7297 1.2364 0.0276 1.1781 14.6742 15.5541 4.7022 0.6892 1.8526 1.0526 0.6452 1.9423 13.8364 109.6672 1.8973 106.3596 33.2596 17.5277 2.2958 27.8720 3.9993 7.4525 5.8888 3.0711 35.5845 9.0759 18.1135 69.4649 25.2554 4.9112 4.4075 0.7232 2.1554 2.3625 1.9372 4.2189 0.9527 1.3783 2.6132 1.0640 0.3556 1.4106 6.2387 0.5384 0.9184 1.3953 0.3705 4.7023 0.2964 10.0527 3.6610 26.8482 3.8403 0.8591 0.9656 16.5738 0.0266 33.9483 1.0945 1.2327 14.7201 0.1621 0.5238 2.5541 28.0812 2.4312 5.4578 5.1482 5.4548 15.7939 2.3799 38.5998 48.4602 17.3533 21.4347 25.4508 45.3180 34.8253 90.0204 31.1775 17.4877 2.3988 0.8616 0.2556 3.6762 26.2970 33.6993 55.2634 8.9427 -0.48 0.12 -0.03 0.08 -0.08 0.01 0.03 -0.06 0.02 -0.00 0.01 0.02 0.07 -0.05 -0.15 0.02 0.03 -0.01 0.00 -0.00 -0.01 0.04 0.00 0.04 0.05 -0.01 0.01 -0.00 0.03 0.06 -0.00 0.02 -0.01 0.01 -0.02 -0.03 0.71 0.04 0.04 -0.00 -0.06 0.01 -0.02 0.03 0.04 -0.02 0.02 -0.05 0.02 -0.06 0.01 -0.04 -0.03 0.00 -0.03 -0.03 -0.00 -0.00 0.03 0.04 -0.06 0.02 0.02 -0.06 -0.01 -0.02 0.00 0.02 -0.05 -0.06 0.02 -0.03 -0.06 -0.01 0.01 -0.35 -0.04 -0.02 0.05 -0.03 0.01 0.05 -0.03 0.00 0.04 0.02 0.02 0.03 0.02 0.03 0.04 0.02 -0.02 0.04 0.01 -0.03 0.00 0.02 0.01 0.00 0.01 -0.18 -0.00 0.03 0.18 0.01 0.01 -0.19 0.01 0.01 -0.32 -0.01 0.01 0.21 -0.01 -0.06 0.01 -0.00 -0.08 -0.32 0.02 0.17 -0.22 -0.01 0.01 0.35 -0.02 -0.23 0.02 -0.00 -0.01 0.02 -0.00 0.01 0.01 -0.01 0.01 0.07 0.02 0.07 -0.04 -0.00 -0.06 -0.03 -0.02 0.01 0.13 -0.06 0.03 0.05 0.03 -0.01 0.06 0.02 0.10 -0.08 0.05 0.10 -0.01 -0.01 0.04 -0.07 0.00 -0.12 -0.06 -0.05 -0.08 0.01 0.04 -0.04 -0.05 0.00 -0.01 -0.00 0.02 -0.07 0.20 -0.07 0.10 0.18 0.05 0.19 -0.06 -0.01 0.09 -0.19 -0.04 -0.22 -0.01 0.05 -0.15 -0.15 0.00 -0.01 -0.17 0.00 -0.01 -0.12 0.00 -0.01 -0.12 -0.01 0.01 0.11 -0.01 -0.01 -0.22 0.02 0.00 0.06 0.09 0.01 0.22 0.07 0.01 0.16 -0.17 0.04 0.15 0.01 -0.00 0.09 0.31 -0.00 0.24 0.02 0.02 0.42 -0.01 -0.00 -0.08 -0.02 -0.00 -0.06 -0.11 -0.00 -0.07 0.09 -0.00 -0.06 -0.03 0.01 0.08 -0.10 -0.01 -0.11 0.07 -0.00 -0.10 -0.12 0.01 0.04 -0.17 -0.01 -0.11 -0.11 -0.01 -0.11 0.09 -0.00 0.06 0.16 0.00 -0.10 0.10 -0.00 -0.10 -0.02 0.01 0.06 0.05 0.01 0.14 -0.12 0.02 0.13 -0.18 0.03 0.08 -0.12 0.02 0.06 0.14 -0.01 0.10 0.10 -0.01 0.08 -0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.00 0.00 0.02 -0.00 0.00 -0.03 -0.00 -0.00 -0.02 0.00 0.00 0.04 -0.00 -0.01 0.01 -0.01 -0.01 -0.06 0.01 0.04 -0.04 0.00 0.01 0.08 -0.01 -0.04 0.01 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.01 0.01 0.11 -0.01 0.09 -0.08 0.02 -0.11 -0.05 0.01 -0.01 -0.09 0.10 0.14 0.23 -0.14 -0.09 0.23 -0.00 -0.07 0.05 -0.16 0.24 -0.08 0.12 0.13 -0.23 0.00 0.08 0.04 0.16 -0.25 -0.01 -0.10 -0.18 -0.21 0.00 0.00 0.00 -0.13 0.04 -0.22 0.16 -0.09 -0.18 -0.14 -0.21 0.06 0.14 -0.10 0.19 0.14 0.22 0.02 -0.15 0.15 0.14 0.02 -0.09 0.01 -0.03 -0.05 -0.01 0.15 -0.04 0.02 -0.03 0.08 -0.04 -0.08 -0.08 -0.01 0.17 0.06 0.03 0.07 0.12 -0.02 -0.12 0.10 -0.08 -0.02 0.14 -0.06 0.25 0.10 0.06 0.06 0.09 -0.02 0.09 0.20 -0.03 -0.02 -0.11 0.02 0.11 -0.08 0.02 -0.10 -0.11 0.02 -0.11 -0.11 0.01 0.10 0.08 -0.00 0.16 -0.13 0.03 0.16 -0.13 0.03 -0.11 0.07 -0.02 -0.03 -0.16 0.03 -0.21 -0.17 0.02 -0.12 0.07 -0.01 -0.05 -0.16 0.02 -0.22 -0.17 0.01 -0.06 0.07 -0.01 0.14 0.14 -0.00 0.15 0.14 -0.01 -0.04 0.14 -0.03 -0.24 0.12 -0.04 -0.05 0.13 -0.01 -0.25 0.12 -0.02 0.03 0.06 -0.02 0.12 0.02 -0.10 0.07 0.06 -0.09 0.13 -0.02 -0.04 0.14 0.03 -0.22 0.04 -0.03 -0.10 0.16 -0.05 0.08 0.17 -0.05 -0.06 0.08 0.04 -0.04 -0.04 -0.07 -0.23 0.41 -0.07 0.10 0.07 -0.09 0.31 -0.06 0.02 0.08 -0.09 0.01 0.11 0.01 0.02 0.08 -0.13 0.03 0.07 -0.08 -0.02 -0.04 -0.03 0.07 0.17 -0.18 -0.02 0.17 0.01 -0.03 -0.01 0.04 0.03 0.11 0.02 0.03 0.10 -0.12 -0.02 -0.03 -0.21 0.05 0.09 -0.11 0.04 0.14 -0.09 -0.02 -0.03 -0.18 -0.03 -0.10 0.02 -0.04 -0.08 0.06 -0.05 -0.05 0.04 -0.04 -0.02 -0.19 -0.04 -0.05 -0.09 -0.03 -0.05 0.05 0.10 0.06 0.17 0.05 0.07 0.09 0.11 0.13 0.16 -0.06 0.09 0.20 0.07 0.04 0.06 0.01 0.06 0.03 -0.03 -0.12 0.24 -0.00 0.23 0.17 -0.27 0.13 0.01 -0.00 0.11 -0.26 0.03 -0.15 0.12 -0.08 -0.38 -0.05 -0.02 -0.07 -0.06 -0.03 -0.10 -0.10 0.00 -0.07 -0.01 -0.03 -0.07 -0.08 -0.01 0.02 -0.13 -0.07 -0.15 0.01 0.01 -0.15 -0.11 -0.02 0.02 -0.17 0.03 -0.09 -0.08 -0.00 -0.15 -0.02 -0.02 0.01 0.03 -0.04 -0.08 -0.02 -0.03 -0.09 -0.10 -0.02 0.02 -0.00 -0.01 0.07 -0.16 -0.00 0.06 -0.17 -0.05 0.03 -0.08 -0.03 0.05 0.03 -0.02 0.05 -0.02 -0.02 0.04 -0.03 0.17 -0.01 0.03 0.13 -0.12 -0.12 0.14 0.03 0.02 -0.00 0.07 0.10 0.17 -0.30 -0.16 0.03 -0.06 -0.06 -0.02 0.01 0.18 0.01 0.21 -0.10 -0.16 0.13 -0.26 -0.02 -0.19 -0.03 0.02 0.01 -0.08 -0.11 0.04 0.00 -0.09 0.02 0.10 -0.07 0.03 0.02 -0.13 0.06 0.01 -0.14 -0.01 0.10 0.03 -0.00 0.15 -0.09 0.04 0.14 -0.11 0.04 0.01 -0.00 0.00 0.10 -0.24 0.05 -0.06 -0.16 0.16 -0.00 0.00 -0.01 0.09 -0.25 0.03 -0.07 -0.19 -0.11 0.04 0.02 -0.00 0.11 0.05 -0.01 0.14 0.05 -0.01 0.09 0.05 -0.02 -0.10 0.03 -0.03 0.08 0.07 0.00 -0.12 0.05 0.01 -0.01 0.07 0.03 0.03 0.05 0.19 -0.05 0.04 -0.09 0.05 0.05 -0.13 0.06 0.07 0.44 -0.06 -0.01 0.01 0.03 -0.05 0.07 -0.12 -0.09 -0.44 0.29 0.36 -0.26 -0.09 -0.01 0.10 0.20 -0.14 0.08 -0.03 -0.07 0.22 0.00 -0.02 -0.02 0.01 -0.03 -0.05 -0.02 -0.03 -0.01 0.01 -0.05 -0.03 0.01 0.00 0.01 0.00 -0.07 -0.07 0.05 -0.01 -0.08 -0.03 -0.00 0.01 -0.02 -0.06 -0.02 -0.04 -0.04 0.00 0.01 -0.01 0.00 0.04 -0.08 -0.02 -0.01 -0.06 -0.08 -0.01 0.00 0.01 0.06 0.01 0.04 -0.03 0.02 0.03 -0.02 0.01 0.01 -0.05 0.01 0.01 0.04 0.00 0.02 -0.02 0.00 0.01 -0.01 -0.02 0.20 -0.03 -0.02 -0.03 0.02 -0.02 0.14 -0.03 0.02 -0.02 -0.05 -0.03 -0.30 -0.02 -0.02 -0.16 0.04 0.01 0.05 -0.07 0.01 -0.06 -0.03 0.08 -0.04 -0.05 -0.07 -0.50 0.29 0.01 0.07 -0.04 -0.00 0.27 0.01 0.00 -0.01 0.01 -0.01 -0.11 0.02 0.06 -0.05 -0.01 -0.03 -0.02 -0.00 0.00 0.04 -0.08 -0.15 -0.22 0.11 0.11 -0.23 0.02 -0.01 0.02 -0.06 0.17 -0.04 0.08 0.08 -0.16 -0.02 0.02 0.02 0.04 -0.09 -0.00 -0.05 -0.06 -0.09 -0.00 0.00 0.02 0.11 -0.02 0.13 -0.13 0.04 0.10 -0.06 -0.07 0.03 0.09 -0.03 0.07 0.03 0.07 0.02 -0.06 0.04 0.06 0.00 -0.01 -0.09 0.01 -0.01 -0.02 -0.00 -0.01 -0.09 0.00 -0.01 0.01 0.00 -0.01 0.08 0.02 0.00 0.05 -0.00 -0.00 -0.01 0.03 0.00 0.05 -0.03 -0.05 0.03 0.04 0.02 0.19 -0.09 0.00 -0.02 0.02 0.01 -0.09 -0.00 0.02 0.04 -0.04 0.01 -0.08 0.10 0.03 0.05 -0.06 -0.09 -0.01 -0.05 0.00 0.09 -0.16 -0.17 -0.22 0.08 0.18 -0.24 0.11 -0.01 -0.00 0.12 0.05 0.07 0.12 0.05 0.06 -0.07 0.08 0.02 0.07 -0.29 0.09 -0.19 -0.17 -0.20 0.00 -0.00 -0.01 0.07 -0.11 0.25 -0.22 0.12 0.19 0.13 -0.04 -0.02 0.14 -0.02 -0.00 0.05 0.27 -0.05 -0.24 0.15 0.16 -0.01 0.02 -0.05 0.00 0.02 -0.01 -0.02 0.02 -0.05 0.00 0.00 0.01 0.03 0.03 0.04 -0.02 0.01 0.03 -0.01 0.00 -0.00 0.03 0.00 0.03 -0.02 -0.02 0.02 -0.02 0.02 0.10 -0.05 0.00 -0.00 -0.00 -0.00 -0.03 -0.01 -0.03 0.02 0.11 -0.03 -0.02 -0.01 0.07 -0.05 -0.08 0.03 0.05 0.10 0.03 0.04 0.09 -0.14 -0.08 0.19 0.01 -0.08 0.00 -0.09 0.07 -0.19 0.31 -0.03 0.16 0.12 -0.28 -0.08 -0.07 -0.04 -0.21 0.16 0.01 -0.00 0.08 0.21 0.01 0.01 -0.00 0.18 0.02 0.10 0.05 0.11 0.08 -0.15 -0.33 0.04 0.16 -0.11 0.30 -0.19 -0.20 -0.02 0.02 -0.11 -0.19 -0.00 0.00 0.02 -0.00 0.00 0.02 0.00 0.00 0.03 0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.02 -0.00 -0.00 0.00 -0.02 -0.00 -0.03 0.03 0.03 -0.02 -0.01 -0.01 -0.06 0.02 -0.00 0.00 -0.01 -0.01 0.02 0.01 -0.03 -0.10 -0.01 -0.00 0.13 0.02 -0.11 -0.06 -0.01 0.11 -0.06 -0.01 0.01 0.17 -0.06 0.20 0.19 0.05 -0.19 0.24 0.01 -0.12 -0.05 0.00 -0.17 -0.10 0.03 -0.08 0.02 -0.00 0.13 -0.05 0.01 0.21 -0.15 -0.04 0.10 0.08 0.01 -0.02 -0.10 0.04 -0.22 0.35 -0.07 0.28 0.28 0.00 -0.23 -0.09 0.02 -0.11 0.08 0.01 0.27 -0.15 -0.03 0.15 0.12 0.03 -0.03 0.01 -0.00 -0.02 -0.00 0.00 -0.04 0.02 -0.00 0.01 0.00 -0.02 -0.03 -0.02 0.02 -0.00 -0.01 0.00 0.01 -0.00 -0.02 0.01 -0.01 0.00 0.02 -0.00 0.04 0.00 -0.04 -0.00 0.02 -0.00 0.01 0.02 -0.01 0.02 0.11 -0.03 -0.02 0.13 -0.00 -0.01 -0.07 0.12 0.00 -0.07 -0.12 -0.03 0.11 0.00 -0.04 0.17 0.01 -0.03 0.11 0.02 -0.01 -0.09 0.14 -0.02 -0.27 0.01 -0.00 -0.02 0.32 0.01 -0.09 -0.12 -0.02 -0.22 0.00 0.03 -0.06 -0.30 -0.00 0.10 -0.02 -0.03 0.08 0.02 -0.04 0.13 0.01 -0.00 -0.31 0.04 -0.01 -0.05 0.39 -0.00 -0.27 0.01 0.04 -0.11 -0.35 0.26 -0.05 -0.03 0.14 0.01 -0.05 -0.17 -0.25 0.03 0.15 0.18 0.05 -0.01 -0.06 -0.22 -0.10 0.02 -0.01 -0.12 0.09 0.07 0.09 0.05 -0.18 0.24 0.39 -0.01 0.06 0.07 -0.20 -0.39 0.16 0.04 -0.03 -0.07 -0.22 0.13 0.00 0.02 -0.02 -0.03 0.00 -0.05 0.02 0.00 -0.05 0.01 0.00 -0.01 -0.06 0.00 -0.06 -0.01 -0.01 -0.05 0.01 -0.02 -0.05 0.02 0.00 -0.08 0.02 -0.01 -0.06 0.01 -0.02 -0.05 0.02 -0.02 -0.08 -0.01 0.03 -0.07 -0.00 0.02 -0.00 -0.03 0.00 -0.03 -0.09 0.01 -0.03 -0.09 0.01 -0.06 0.08 0.04 -0.07 0.02 -0.03 -0.06 0.08 -0.07 -0.08 0.03 0.02 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.02 -0.01 -0.02 0.02 0.02 -0.01 -0.01 -0.02 -0.04 -0.02 -0.00 0.00 -0.00 0.00 -0.01 -0.02 0.02 0.18 0.00 0.01 0.03 -0.14 0.06 0.11 0.13 -0.03 0.13 0.00 0.00 -0.02 -0.03 -0.29 -0.13 0.06 0.26 -0.18 -0.13 -0.09 -0.13 -0.17 0.23 0.19 -0.05 0.08 -0.02 0.15 0.05 -0.13 0.13 -0.18 0.24 0.06 -0.07 0.00 0.00 -0.02 -0.17 0.02 -0.20 0.12 -0.03 0.24 0.06 -0.06 -0.20 -0.21 -0.09 -0.09 -0.02 0.11 0.14 -0.24 0.09 0.08 -0.01 0.00 -0.01 -0.04 -0.01 -0.01 0.02 -0.07 -0.02 0.08 0.01 -0.06 -0.04 0.03 0.00 0.25 -0.04 0.12 -0.02 0.10 0.01 -0.07 0.04 0.10 0.19 -0.10 -0.29 0.03 0.02 0.16 0.23 0.43 -0.03 -0.05 -0.02 -0.03 0.24 0.07 0.08 0.00 0.03 0.10 -0.01 -0.07 0.00 -0.02 -0.06 0.00 0.01 0.05 -0.12 0.02 -0.02 0.13 -0.02 -0.03 0.15 -0.02 -0.08 -0.01 0.00 -0.06 -0.11 -0.07 -0.10 0.00 0.09 -0.07 -0.00 -0.02 -0.06 -0.11 0.10 -0.09 -0.02 -0.11 0.17 -0.07 0.01 -0.01 -0.21 0.03 -0.01 -0.18 0.03 -0.12 0.13 0.08 -0.12 -0.00 -0.06 -0.10 0.11 -0.14 -0.12 0.02 0.03 -0.04 0.01 0.06 0.01 -0.02 -0.02 0.04 0.03 -0.08 0.00 0.02 0.02 0.03 -0.01 -0.18 0.03 -0.05 0.03 -0.04 0.00 0.04 -0.03 -0.05 -0.10 0.05 0.15 -0.02 -0.02 -0.08 -0.15 -0.26 0.01 0.02 0.04 0.03 -0.17 -0.08 0.14 -0.03 0.13 0.12 -0.00 -0.05 0.06 0.05 -0.04 0.06 -0.09 0.17 -0.08 0.02 0.11 0.12 -0.01 0.14 0.12 -0.00 -0.03 -0.08 -0.08 0.08 -0.14 0.01 -0.08 0.10 0.32 -0.04 -0.06 0.09 0.08 -0.12 -0.00 -0.05 0.03 -0.34 -0.09 -0.14 0.01 0.14 -0.05 -0.01 0.17 -0.06 0.02 0.01 0.04 -0.04 0.04 -0.14 -0.28 0.01 0.05 0.04 0.02 -0.07 0.31 0.25 0.08 -0.01 -0.14 0.27 -0.01 0.18 0.07 -0.02 -0.18 -0.02 -0.01 -0.19 0.24 0.22 0.11 -0.26 -0.00 -0.11 -0.12 0.04 0.07 -0.13 0.02 -0.21 -0.06 0.01 0.02 -0.31 -0.11 -0.09 -0.11 0.04 -0.07 0.16 0.02 0.21 0.03 0.01 -0.01 -0.00 -0.00 -0.05 0.01 0.01 -0.05 0.01 -0.02 0.00 -0.10 0.01 -0.07 0.07 -0.01 -0.10 0.05 -0.00 -0.06 0.04 0.05 -0.11 -0.04 -0.05 -0.07 -0.01 -0.01 -0.06 0.02 -0.06 -0.12 -0.03 0.03 -0.07 -0.00 -0.00 0.05 -0.02 0.01 -0.02 -0.15 0.03 -0.04 -0.15 0.02 -0.08 0.12 0.10 -0.11 0.06 0.04 -0.07 0.08 -0.12 -0.11 0.04 -0.07 -0.09 0.03 0.37 0.02 -0.04 -0.11 -0.03 -0.00 -0.33 0.03 -0.03 -0.02 0.07 -0.01 -0.28 0.05 0.06 0.17 0.02 0.01 0.03 0.08 -0.02 0.04 -0.05 -0.06 0.01 -0.05 -0.01 -0.20 -0.35 -0.11 -0.00 0.14 0.08 -0.29 0.05 -0.02 -0.01 -0.04 0.05 -0.01 -0.02 -0.05 -0.07 -0.00 -0.03 0.06 -0.04 -0.05 0.00 -0.08 0.09 -0.01 -0.07 0.06 -0.00 -0.05 0.03 0.04 -0.06 -0.05 -0.10 -0.04 -0.08 -0.11 0.00 0.03 -0.07 -0.05 -0.01 0.07 -0.03 -0.04 0.12 0.20 0.03 -0.01 -0.09 -0.14 0.02 -0.09 -0.10 0.01 -0.12 0.06 0.09 -0.12 0.07 0.12 -0.05 0.04 -0.12 -0.06 0.05 -0.15 -0.14 -0.01 -0.16 0.02 -0.07 0.06 0.09 0.10 0.09 0.03 0.03 0.07 0.04 -0.05 -0.30 0.01 -0.07 -0.05 -0.03 -0.01 0.06 -0.17 -0.12 -0.30 0.26 0.41 -0.07 -0.07 -0.12 -0.21 -0.30 0.12 0.04 0.06 -0.06 -0.21 -0.01 0.00 0.00 -0.01 0.09 -0.01 0.00 -0.05 -0.06 -0.02 -0.03 0.08 -0.01 -0.04 0.00 -0.06 0.09 -0.03 -0.02 0.12 -0.02 -0.01 0.02 0.03 -0.01 -0.07 -0.08 -0.02 -0.06 -0.07 -0.04 0.01 -0.03 -0.03 -0.05 0.10 -0.05 -0.05 0.08 0.17 0.01 0.02 -0.07 -0.09 -0.01 -0.04 -0.12 -0.00 -0.07 0.05 0.08 -0.06 0.05 0.07 -0.09 0.02 -0.08 -0.08 0.02 -0.09 0.01 -0.00 -0.01 -0.01 0.01 0.03 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.11 0.00 0.01 0.01 0.01 -0.00 -0.01 -0.03 0.00 -0.00 0.03 -0.03 -0.01 -0.01 0.00 -0.05 0.01 -0.03 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.06 -0.00 0.03 -0.01 0.00 -0.03 -0.05 -0.00 -0.00 0.04 -0.24 -0.25 -0.17 0.27 0.18 -0.18 -0.00 0.02 -0.00 0.15 -0.13 -0.02 -0.14 -0.01 0.16 0.00 -0.02 -0.03 -0.22 0.20 -0.13 0.20 0.08 0.18 0.00 0.00 0.00 -0.27 0.06 -0.19 0.30 -0.12 -0.12 -0.13 -0.10 0.01 0.13 -0.01 0.10 0.21 0.16 -0.03 -0.22 0.07 0.09 -0.02 -0.01 -0.03 -0.02 -0.02 0.04 -0.01 0.03 -0.00 -0.00 -0.03 0.01 0.01 -0.01 -0.21 0.00 0.04 0.03 0.03 -0.00 -0.00 -0.10 -0.02 -0.05 0.08 0.01 -0.02 -0.06 -0.00 -0.21 -0.05 -0.04 -0.01 0.06 0.01 -0.06 -0.05 -0.00 -0.00 0.02 -0.12 -0.01 -0.02 0.06 0.16 0.00 0.04 -0.15 0.01 -0.08 -0.01 0.11 -0.06 0.07 -0.05 -0.21 0.08 -0.00 0.03 0.10 -0.24 0.30 0.17 0.24 0.16 -0.02 0.00 0.01 -0.09 -0.11 0.16 -0.20 0.14 0.12 -0.08 0.05 -0.00 0.00 0.09 -0.12 0.08 -0.10 -0.07 0.04 0.22 0.26 0.10 -0.24 0.09 -0.07 0.13 0.15 -0.12 -0.14 0.07 -0.04 0.01 0.00 -0.01 -0.01 0.01 0.02 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.10 0.00 0.01 0.01 0.01 -0.00 -0.01 -0.02 0.00 0.00 0.02 -0.03 -0.01 -0.01 0.00 -0.05 0.01 -0.03 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.02 0.05 0.01 -0.04 -0.00 -0.01 0.07 -0.02 -0.00 -0.01 0.05 -0.22 -0.19 -0.13 0.25 0.09 -0.13 0.00 -0.02 0.01 -0.13 0.09 -0.01 0.15 0.01 -0.12 -0.00 0.05 -0.00 0.27 -0.17 0.04 -0.26 -0.08 -0.24 0.00 0.00 0.00 -0.26 0.06 -0.17 0.28 -0.12 -0.11 0.12 0.09 -0.00 -0.13 0.02 -0.09 -0.27 -0.19 0.01 0.29 -0.07 -0.17 0.01 0.00 0.01 0.01 0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.07 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.02 0.01 0.01 -0.03 -0.00 0.01 0.02 0.00 0.06 0.01 0.01 0.00 -0.02 -0.00 0.02 0.02 0.00 -0.00 0.00 0.11 0.00 0.00 -0.09 -0.00 -0.01 -0.05 0.01 -0.00 0.06 0.01 -0.08 0.08 -0.05 0.05 0.15 -0.05 0.01 -0.07 0.00 -0.35 0.19 -0.04 0.32 0.03 -0.29 0.00 -0.04 0.02 -0.20 0.10 -0.01 0.16 0.05 0.16 -0.02 -0.01 0.00 -0.08 0.09 -0.06 0.08 0.04 -0.04 0.32 0.22 -0.03 -0.31 0.00 -0.27 0.19 0.11 0.02 -0.19 0.03 0.15 -0.05 -0.00 0.07 0.05 -0.06 -0.13 0.03 0.04 0.02 0.03 0.05 0.02 0.05 -0.06 0.62 -0.02 -0.07 -0.10 -0.04 0.02 0.03 0.12 -0.02 -0.01 -0.15 0.19 0.05 0.08 0.02 0.54 -0.06 0.23 0.03 -0.04 -0.10 -0.01 -0.04 -0.00 -0.00 0.01 -0.03 0.02 0.00 0.02 0.03 0.00 0.02 -0.05 -0.00 -0.04 0.02 -0.04 -0.12 -0.04 0.09 0.01 -0.04 -0.01 0.02 0.03 -0.01 0.03 0.04 0.01 0.02 0.02 0.01 0.02 -0.04 0.01 0.04 -0.07 0.01 0.03 -0.05 0.03 0.00 0.00 -0.10 -0.04 -0.05 0.08 -0.09 -0.03 -0.00 0.04 0.04 -0.03 0.03 0.04 0.01 0.03 -0.06 0.00 0.02 -0.05 -0.00 0.01 0.04 -0.03 0.03 0.06 -0.00 -0.02 -0.04 0.02 0.04 0.04 -0.07 0.02 -0.65 -0.02 -0.08 -0.05 0.01 0.00 -0.06 -0.06 0.05 0.00 0.12 0.03 0.01 0.09 0.02 0.69 0.17 0.07 -0.05 -0.04 -0.04 0.08 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.01 -0.01 -0.00 0.01 0.02 0.01 -0.01 -0.02 0.02 0.00 0.00 0.01 -0.01 0.01 0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.03 -0.02 0.02 -0.02 -0.00 0.01 0.01 0.01 0.01 -0.01 0.01 0.00 0.00 0.01 -0.01 -0.01 0.01 -0.01 -0.05 -0.02 -0.01 -0.16 0.05 -0.03 -0.06 -0.02 0.03 0.09 0.17 0.02 -0.29 -0.01 0.24 -0.06 -0.13 0.06 0.26 -0.05 -0.06 0.05 0.31 0.17 -0.07 0.08 0.08 -0.34 -0.28 -0.16 -0.12 -0.03 -0.08 0.38 -0.10 -0.38 0.01 0.00 0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.01 0.01 0.02 0.00 -0.02 -0.02 -0.01 -0.01 -0.00 -0.01 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.01 0.01 0.02 -0.00 -0.01 0.02 -0.00 0.01 -0.01 0.01 0.01 -0.02 0.02 0.00 0.00 0.01 0.04 -0.01 0.03 0.03 -0.01 0.01 -0.01 -0.02 0.00 -0.01 -0.02 0.01 -0.00 0.02 0.00 -0.01 0.02 -0.05 -0.01 -0.03 0.09 -0.05 0.05 0.03 -0.00 -0.01 0.04 0.16 -0.09 -0.00 -0.09 -0.02 -0.01 -0.13 0.09 -0.11 0.05 -0.05 0.20 0.39 0.34 -0.11 -0.35 0.05 -0.03 -0.16 -0.28 0.27 -0.20 -0.01 -0.23 0.13 0.31 -0.07 -0.01 -0.00 0.02 0.04 -0.00 0.02 -0.01 -0.01 0.02 -0.01 0.02 0.02 -0.07 0.01 0.02 0.04 -0.01 0.01 0.03 0.00 0.01 0.04 0.05 0.01 0.00 -0.01 0.01 -0.03 -0.04 0.02 0.02 -0.05 0.01 0.00 0.01 -0.00 -0.02 0.04 -0.03 -0.00 -0.00 0.00 -0.09 0.01 -0.01 -0.08 0.02 0.00 0.04 0.05 -0.02 0.05 0.06 0.00 0.02 -0.06 -0.01 0.03 -0.07 -0.04 0.00 -0.00 0.06 -0.03 0.02 0.03 0.02 -0.01 0.01 0.05 -0.03 0.06 -0.03 -0.07 0.01 -0.07 0.02 -0.07 0.02 -0.01 0.06 0.12 0.10 -0.03 -0.11 0.01 0.02 -0.06 -0.01 0.10 -0.04 0.00 -0.12 0.09 0.13 0.10 0.01 0.01 -0.03 -0.10 0.06 -0.04 0.08 0.03 -0.03 0.00 -0.10 -0.09 0.15 -0.08 0.05 -0.33 0.01 0.03 0.04 -0.06 -0.05 -0.14 -0.09 0.03 -0.08 -0.02 -0.02 0.14 0.25 -0.08 -0.03 0.16 0.02 0.13 -0.22 0.01 0.03 0.02 0.23 0.01 0.01 -0.00 -0.01 0.09 -0.13 0.36 -0.01 -0.01 0.10 -0.00 -0.06 -0.17 -0.30 -0.08 -0.16 0.27 0.02 -0.07 -0.02 -0.01 0.00 -0.00 0.02 -0.01 0.01 0.01 0.01 -0.01 0.00 0.02 -0.01 0.02 -0.01 -0.03 0.00 -0.02 0.01 -0.02 0.01 -0.00 0.02 0.04 0.03 -0.01 -0.03 0.00 0.00 -0.02 -0.00 0.03 -0.01 0.00 -0.04 0.03 0.04 0.03 0.00 -0.01 -0.00 -0.04 -0.07 -0.01 -0.02 0.07 -0.02 0.06 0.01 -0.04 0.06 0.08 -0.03 0.23 0.04 0.04 -0.32 0.09 -0.02 0.02 -0.09 -0.02 0.20 0.18 0.01 -0.06 -0.15 -0.01 -0.09 0.00 0.00 -0.14 0.17 0.01 0.06 -0.25 0.07 0.00 0.01 -0.12 0.32 -0.15 0.10 -0.24 -0.07 -0.05 -0.26 -0.20 0.06 0.04 0.21 0.06 0.19 -0.18 -0.11 -0.04 0.31 -0.05 -0.04 0.00 -0.15 0.05 -0.00 0.06 -0.01 -0.01 0.15 0.06 0.00 -0.32 -0.02 0.01 0.06 0.11 -0.03 -0.10 -0.11 0.03 0.42 -0.06 0.04 0.17 -0.10 0.03 0.25 0.20 -0.06 -0.01 -0.24 0.03 -0.16 -0.43 0.09 -0.00 -0.04 0.01 -0.01 0.05 -0.00 -0.01 -0.02 0.05 -0.01 -0.02 -0.05 0.03 -0.03 0.00 -0.04 0.05 -0.02 -0.05 0.08 -0.01 -0.00 0.02 -0.05 -0.00 0.12 0.13 0.01 -0.04 -0.09 -0.01 0.02 0.05 0.01 0.08 -0.15 -0.00 -0.01 0.06 0.02 0.03 -0.01 0.00 -0.08 0.01 -0.00 -0.05 0.01 -0.00 -0.14 -0.12 0.04 0.03 0.10 -0.00 -0.09 0.14 0.05 -0.01 -0.06 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.02 0.00 -0.02 -0.00 -0.01 0.00 0.01 0.01 -0.00 -0.03 0.00 -0.00 -0.01 0.01 -0.00 -0.02 -0.01 -0.00 0.00 0.01 -0.00 0.01 0.03 -0.00 -0.00 0.01 0.09 -0.01 0.01 0.09 0.06 -0.11 -0.05 -0.06 0.09 -0.08 0.01 -0.01 -0.10 0.05 -0.29 -0.01 -0.05 0.28 -0.08 -0.02 0.11 0.03 0.00 0.08 0.02 0.05 -0.16 -0.24 0.02 -0.10 0.06 -0.01 -0.07 0.02 -0.02 0.11 -0.27 0.00 -0.01 -0.06 0.09 -0.25 0.11 -0.10 0.27 0.03 -0.15 -0.08 0.01 -0.09 0.19 0.34 0.16 0.08 0.01 0.06 -0.10 0.38 0.02 0.02 -0.00 0.06 -0.02 0.00 -0.03 0.01 0.00 -0.06 -0.02 -0.00 0.13 0.01 -0.01 -0.03 -0.04 0.01 0.05 0.04 -0.01 -0.17 0.03 -0.02 -0.07 0.05 -0.01 -0.11 -0.08 0.02 0.00 0.10 -0.01 0.07 0.17 -0.04 0.02 -0.08 0.01 0.03 0.11 -0.01 -0.02 -0.03 0.10 -0.01 -0.05 -0.08 0.01 -0.09 0.01 -0.03 0.15 -0.03 -0.03 0.12 0.00 -0.01 0.03 -0.10 -0.01 0.23 0.24 0.00 -0.07 -0.17 -0.02 0.06 0.09 0.02 0.17 -0.28 -0.01 -0.04 0.20 0.01 0.06 -0.00 -0.08 -0.17 0.01 -0.08 -0.19 0.02 0.01 -0.28 -0.26 0.11 0.04 0.17 -0.04 -0.21 0.31 0.11 -0.00 -0.18 0.00 0.00 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.01 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.02 -0.05 -0.00 0.03 -0.12 -0.04 -0.01 0.21 0.04 0.00 0.05 -0.00 -0.02 -0.08 -0.07 -0.02 -0.09 0.12 -0.04 0.11 0.04 0.01 -0.22 -0.03 -0.05 -0.18 -0.10 -0.14 -0.21 -0.04 0.01 0.39 0.07 -0.09 0.35 0.09 -0.16 -0.01 -0.01 0.01 0.10 -0.02 0.03 0.06 0.11 0.01 0.19 -0.08 -0.08 0.21 0.01 0.03 -0.34 0.06 -0.16 -0.37 0.01 -0.06 0.01 0.00 -0.00 0.02 -0.02 0.00 0.00 0.01 -0.00 -0.01 -0.01 0.00 -0.04 -0.05 0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.03 0.00 -0.00 -0.01 0.00 -0.00 -0.03 -0.01 0.01 0.01 0.01 -0.00 -0.00 0.02 0.01 0.01 -0.01 -0.00 -0.17 -0.02 -0.02 0.17 0.01 0.02 0.06 -0.02 -0.00 0.16 0.01 0.02 -0.32 0.12 -0.03 -0.31 0.07 -0.03 -0.16 -0.02 -0.02 0.28 0.13 0.13 0.28 0.07 0.07 -0.06 0.01 0.00 0.10 0.06 -0.08 0.10 0.00 0.03 -0.01 -0.02 -0.00 0.29 0.17 -0.01 0.29 0.13 0.00 -0.30 0.03 0.07 -0.28 0.03 0.07 -0.11 -0.02 -0.01 -0.08 0.01 -0.08 -0.02 0.01 -0.00 -0.02 0.04 0.00 -0.01 -0.05 0.01 0.00 0.00 -0.01 0.04 0.07 0.00 0.02 0.00 -0.01 0.01 -0.01 0.01 0.05 -0.02 0.01 -0.01 -0.01 -0.00 0.07 0.03 -0.01 -0.04 -0.02 0.01 0.03 -0.02 -0.04 -0.00 0.01 -0.00 0.19 0.04 0.01 0.16 0.00 -0.01 0.13 0.00 0.02 -0.17 -0.00 -0.01 0.32 -0.05 0.03 0.32 -0.07 0.04 -0.14 -0.02 -0.01 0.24 0.07 0.07 0.23 0.05 0.06 -0.12 -0.01 -0.00 0.21 0.04 -0.04 0.20 0.03 -0.04 -0.05 -0.01 -0.00 -0.29 -0.12 -0.01 -0.28 -0.12 -0.01 -0.24 0.03 0.06 -0.24 0.02 0.04 -0.19 0.01 -0.07 -0.20 0.01 -0.06 0.04 -0.02 0.02 -0.01 -0.03 -0.09 0.02 0.05 -0.03 -0.00 0.02 0.17 -0.09 -0.08 0.18 -0.00 0.02 0.10 -0.04 -0.03 -0.17 -0.39 -0.02 -0.19 0.31 0.30 0.02 -0.16 -0.07 -0.18 0.43 0.04 -0.13 -0.24 -0.25 0.31 0.03 0.00 0.01 0.02 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.02 0.00 0.00 0.03 -0.00 0.00 0.01 0.01 -0.00 -0.01 -0.01 -0.00 0.02 -0.01 -0.01 0.01 -0.00 -0.01 -0.01 0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.02 -0.00 0.00 -0.03 0.01 -0.00 -0.03 -0.02 -0.00 -0.02 0.00 0.01 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.12 -0.05 0.01 0.06 -0.13 0.05 0.06 0.14 -0.03 -0.09 0.10 -0.03 -0.13 -0.23 -0.16 -0.06 0.11 -0.05 0.01 -0.12 0.04 -0.23 0.34 0.19 -0.36 0.03 0.07 -0.25 0.05 0.18 -0.21 -0.29 0.02 0.03 -0.42 -0.14 0.05 -0.00 -0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.02 0.00 -0.00 -0.00 0.03 -0.00 0.02 0.02 -0.00 -0.01 0.00 0.00 -0.01 -0.02 -0.02 -0.01 -0.01 -0.01 -0.01 -0.00 0.00 -0.00 -0.02 0.02 -0.02 -0.01 0.03 -0.03 -0.01 -0.00 -0.04 -0.02 -0.00 -0.03 0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.00 -0.01 0.00 -0.01 0.03 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 0.03 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 0.01 0.01 0.00 0.01 -0.00 -0.01 0.01 0.01 -0.00 -0.01 -0.00 0.01 0.00 -0.01 -0.10 -0.00 0.00 -0.03 -0.01 0.05 0.05 0.01 -0.04 0.06 0.00 -0.00 -0.05 -0.30 0.27 -0.07 0.31 -0.28 0.04 0.01 0.05 0.05 -0.06 0.02 0.01 0.03 0.08 0.09 -0.02 -0.04 0.05 0.07 -0.01 0.01 -0.05 -0.07 0.11 0.01 -0.01 -0.08 -0.23 -0.42 0.04 0.24 0.43 -0.03 0.05 0.03 0.02 -0.08 0.11 0.15 -0.06 -0.02 0.00 0.07 -0.07 0.19 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 0.10 -0.01 -0.01 -0.08 0.01 0.01 -0.00 -0.05 0.01 0.01 0.05 0.03 -0.08 0.01 -0.01 -0.09 0.01 0.02 -0.11 0.01 -0.01 0.00 -0.05 -0.15 -0.15 -0.22 0.19 0.14 0.14 -0.02 0.02 0.05 -0.19 -0.11 0.24 0.22 0.11 -0.16 -0.01 0.08 -0.01 -0.00 -0.14 0.02 0.02 -0.10 0.01 0.23 -0.19 -0.27 -0.22 0.12 0.17 0.21 -0.13 0.35 -0.20 0.08 -0.22 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.03 -0.00 -0.00 0.02 -0.00 0.04 -0.01 0.00 -0.04 0.01 -0.00 -0.00 0.02 0.12 -0.14 0.02 -0.12 0.14 -0.03 -0.00 0.03 -0.00 -0.15 -0.16 -0.19 0.16 0.18 0.23 -0.00 -0.03 0.01 0.16 0.11 -0.19 -0.17 -0.12 0.24 0.00 0.00 -0.02 0.10 0.17 -0.03 -0.10 -0.19 0.00 0.23 -0.15 -0.20 -0.23 0.16 0.24 -0.19 0.09 -0.23 0.18 -0.09 0.28 0.08 -0.08 0.01 -0.10 -0.08 0.01 0.03 0.14 -0.02 0.12 -0.08 -0.04 -0.38 -0.23 -0.04 -0.09 -0.01 0.01 -0.03 0.13 0.03 0.30 -0.21 -0.08 0.23 -0.23 -0.05 -0.46 -0.17 0.12 -0.00 0.26 0.03 -0.02 0.34 0.06 0.06 -0.01 0.00 0.03 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 -0.02 0.00 -0.00 -0.01 0.04 -0.00 0.00 0.03 -0.00 -0.01 0.00 0.00 -0.00 -0.02 -0.02 -0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.01 -0.02 0.03 -0.00 -0.00 0.02 -0.04 -0.00 -0.00 -0.05 -0.02 -0.01 -0.03 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.02 -0.01 -0.01 0.00 0.01 -0.01 0.02 0.00 -0.01 -0.00 -0.00 -0.00 0.05 0.00 -0.01 -0.01 0.00 -0.01 -0.04 0.05 0.02 -0.12 0.01 0.01 0.05 -0.00 -0.01 -0.04 0.32 -0.17 -0.01 -0.51 0.29 0.05 -0.07 -0.04 -0.11 0.11 0.59 -0.04 -0.07 -0.33 0.04 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.02 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 0.02 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.02 0.00 -0.01 0.13 0.01 -0.02 -0.01 -0.02 0.01 -0.07 0.04 0.01 -0.10 -0.03 -0.03 -0.00 0.01 0.21 -0.14 0.05 0.13 -0.17 0.03 0.02 0.07 -0.05 -0.32 -0.03 -0.10 0.16 -0.02 -0.09 0.00 0.09 0.04 -0.35 0.02 0.04 0.26 0.03 0.07 0.01 -0.10 -0.01 0.06 0.16 -0.03 0.14 0.16 -0.01 -0.34 0.02 0.12 0.17 0.04 0.10 -0.36 -0.03 -0.12 0.29 -0.02 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.14 0.01 -0.01 -0.11 0.01 0.05 -0.05 -0.01 -0.03 -0.03 -0.00 0.01 0.10 0.26 0.09 0.06 -0.34 -0.02 0.03 0.03 -0.05 0.04 0.09 -0.10 -0.09 -0.30 -0.13 -0.08 -0.04 0.03 0.01 0.03 0.08 -0.13 0.25 0.10 -0.11 0.01 0.01 -0.10 -0.35 -0.11 -0.06 0.32 0.03 -0.03 0.10 0.11 0.08 -0.31 0.08 0.08 -0.00 -0.08 0.13 0.23 -0.07 0.16 -0.02 0.00 0.00 0.06 -0.00 0.01 -0.01 -0.04 0.01 -0.07 0.07 0.05 -0.21 -0.13 -0.01 0.03 0.07 -0.03 -0.00 -0.10 -0.04 0.49 -0.33 -0.06 -0.04 0.20 0.03 -0.34 -0.09 0.08 0.11 -0.20 -0.04 0.07 0.56 -0.02 -0.02 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.04 -0.04 0.00 0.03 -0.03 0.01 0.00 0.00 -0.00 -0.00 0.02 0.01 0.01 0.01 0.01 0.01 -0.00 0.00 0.01 0.01 -0.02 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 0.00 0.01 -0.01 0.00 -0.01 -0.02 0.01 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.02 -0.00 -0.00 -0.00 0.01 -0.00 0.01 0.05 0.00 0.04 -0.03 -0.00 -0.04 -0.02 0.00 -0.01 -0.05 -0.28 0.10 -0.05 0.28 -0.10 0.01 -0.00 -0.04 0.03 0.26 0.07 0.12 -0.27 -0.14 -0.13 -0.00 0.04 0.02 -0.25 -0.04 0.10 0.28 0.10 -0.13 0.00 0.00 0.00 0.23 0.14 0.02 -0.24 -0.14 0.02 0.27 -0.04 -0.11 -0.24 0.05 0.06 -0.23 0.01 -0.13 0.23 -0.04 0.11 -0.01 0.01 0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.03 -0.02 -0.00 0.00 -0.01 0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.03 0.03 0.01 0.07 0.02 -0.01 0.01 -0.01 -0.00 0.01 0.04 -0.00 -0.00 -0.03 -0.01 0.04 -0.05 0.01 -0.02 -0.04 -0.02 -0.02 -0.03 0.02 0.04 0.05 -0.00 -0.21 0.15 -0.03 -0.25 0.18 -0.04 -0.03 0.03 0.02 -0.03 0.03 0.01 0.30 0.18 0.21 -0.02 0.02 -0.02 -0.08 -0.00 0.02 0.30 0.12 -0.19 -0.01 0.05 0.00 -0.21 -0.25 0.01 -0.17 -0.20 0.01 -0.05 0.00 0.01 0.32 -0.14 -0.20 -0.11 0.02 -0.08 0.27 -0.08 0.23 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.00 0.00 -0.03 0.01 -0.00 -0.03 0.01 0.00 -0.04 -0.00 -0.00 0.01 0.23 -0.11 0.04 -0.18 0.07 -0.01 -0.07 0.02 0.04 0.20 0.08 0.11 -0.03 -0.02 -0.02 0.07 -0.01 0.06 -0.22 -0.06 0.11 -0.04 -0.02 0.03 -0.00 -0.00 0.06 -0.19 -0.19 0.01 0.22 0.24 -0.01 0.38 -0.18 -0.27 0.12 -0.08 -0.10 -0.32 0.11 -0.33 -0.16 0.07 -0.18 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.02 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 0.02 0.00 0.01 0.00 0.00 0.01 -0.01 -0.00 0.00 0.02 0.00 -0.00 -0.04 0.01 0.11 -0.03 0.01 -0.04 -0.00 -0.02 -0.07 -0.01 0.02 -0.09 -0.05 -0.00 -0.26 0.30 -0.04 -0.22 0.26 -0.05 0.05 0.00 -0.03 0.02 0.03 0.04 0.11 0.13 0.17 0.07 0.00 0.04 0.11 0.07 -0.13 0.19 0.12 -0.24 -0.00 -0.04 0.00 0.17 0.29 -0.03 0.16 0.29 -0.02 -0.10 0.03 0.06 -0.17 0.12 0.18 -0.13 0.04 -0.13 -0.19 0.09 -0.28 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.02 0.01 -0.00 0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 -0.01 -0.07 0.02 -0.00 0.01 -0.09 -0.03 -0.04 0.09 0.03 -0.04 -0.02 -0.01 0.02 0.10 -0.08 0.01 -0.18 0.17 -0.04 0.07 -0.02 -0.01 0.29 0.27 0.32 0.12 0.15 0.20 -0.06 0.02 -0.01 -0.35 -0.20 0.35 -0.16 -0.10 0.20 0.00 -0.01 -0.01 -0.00 0.07 -0.02 0.08 0.05 -0.01 -0.08 0.10 0.13 -0.19 0.11 0.16 0.06 -0.07 0.15 0.12 -0.05 0.14 -0.01 0.03 -0.00 0.02 -0.01 0.01 -0.03 0.03 0.00 -0.01 -0.01 0.01 -0.23 -0.14 -0.00 -0.02 -0.03 0.01 0.02 -0.01 -0.01 0.07 -0.07 -0.02 -0.07 0.08 0.01 0.37 0.15 -0.09 0.02 -0.05 -0.01 0.04 0.10 -0.02 -0.01 0.00 0.00 0.08 -0.03 0.01 0.06 0.03 0.04 0.05 0.02 -0.03 -0.07 -0.04 -0.00 -0.20 0.18 -0.04 -0.17 0.16 -0.03 -0.06 0.02 0.02 -0.19 -0.16 -0.19 -0.14 -0.14 -0.17 -0.05 0.01 -0.03 -0.15 -0.07 0.14 -0.14 -0.08 0.14 0.02 -0.01 0.00 0.15 0.20 -0.01 0.14 0.20 -0.02 0.15 -0.08 -0.13 0.17 -0.09 -0.11 0.14 -0.04 0.15 0.13 -0.05 0.12 0.01 0.04 0.00 0.03 -0.03 0.01 -0.04 0.06 -0.00 -0.00 -0.02 0.00 -0.46 -0.26 -0.01 -0.04 -0.04 0.02 0.02 -0.02 -0.01 0.01 -0.04 -0.01 -0.09 0.07 0.01 0.54 0.21 -0.13 0.03 0.03 -0.01 0.05 0.11 -0.03 0.01 0.00 -0.00 -0.02 0.00 0.00 -0.01 0.01 0.01 -0.01 0.00 -0.01 0.04 0.04 -0.00 0.03 -0.06 0.00 0.05 -0.06 0.01 0.05 -0.02 -0.03 0.00 0.00 0.01 -0.03 -0.01 -0.02 0.04 -0.01 0.04 -0.00 -0.00 -0.01 -0.02 0.00 0.01 -0.02 -0.00 -0.00 -0.14 -0.16 -0.00 -0.16 -0.17 0.02 -0.17 0.07 0.12 -0.19 0.09 0.11 -0.15 0.03 -0.14 -0.16 0.06 -0.14 0.02 0.02 0.00 0.01 -0.01 0.00 -0.02 0.03 -0.00 0.00 -0.01 -0.00 -0.23 -0.13 -0.01 -0.02 -0.02 0.01 0.01 -0.01 -0.00 -0.02 -0.00 -0.01 -0.04 0.02 0.00 0.23 0.09 -0.05 0.01 0.04 -0.00 0.02 0.04 -0.01 0.03 0.00 0.00 -0.05 0.06 -0.01 -0.05 -0.04 -0.05 -0.05 -0.02 0.05 -0.04 -0.06 0.00 0.24 -0.18 0.03 0.23 -0.17 0.04 -0.03 0.03 0.04 0.22 0.17 0.19 0.17 0.13 0.18 -0.03 0.02 -0.05 0.24 0.11 -0.19 0.18 0.08 -0.17 0.02 -0.01 0.00 0.17 0.18 -0.00 0.17 0.17 -0.02 0.19 -0.06 -0.11 0.15 -0.06 -0.06 0.18 -0.03 0.14 0.14 -0.04 0.10 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.02 0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.03 0.24 0.01 -0.01 -0.05 -0.03 -0.06 -0.12 0.05 0.03 -0.12 0.00 -0.00 -0.01 -0.30 0.37 -0.04 0.28 -0.34 0.07 -0.01 0.02 0.02 0.03 0.03 -0.04 0.24 0.20 0.33 0.01 -0.02 0.03 -0.03 -0.03 -0.04 -0.28 -0.13 0.34 0.00 0.00 -0.01 0.05 0.04 -0.00 -0.06 -0.04 -0.00 0.05 -0.04 -0.03 0.10 -0.03 -0.07 -0.05 0.03 -0.05 -0.09 0.01 -0.08 -0.02 0.05 -0.00 0.07 0.03 -0.02 0.00 -0.05 0.00 -0.10 0.02 -0.03 -0.42 -0.21 0.03 0.04 0.01 0.01 0.02 -0.01 0.04 -0.00 -0.01 0.00 0.44 -0.39 -0.11 -0.16 -0.08 0.02 -0.04 0.43 0.03 0.01 -0.34 -0.02 -0.03 0.06 -0.01 0.03 -0.04 0.01 -0.00 -0.02 -0.00 -0.00 -0.02 0.01 -0.00 0.01 -0.00 -0.08 0.03 -0.02 -0.07 0.04 -0.00 -0.00 -0.00 0.00 0.05 0.07 0.07 -0.04 -0.05 -0.05 -0.00 -0.00 -0.00 0.05 0.05 -0.07 -0.04 -0.04 0.05 0.02 -0.01 0.00 -0.01 -0.01 0.01 -0.02 -0.02 -0.00 0.02 -0.01 -0.01 0.00 -0.00 0.00 0.02 -0.00 0.02 0.01 -0.00 0.01 0.01 -0.02 -0.00 -0.03 -0.01 0.01 0.00 0.02 -0.00 0.04 -0.02 0.01 0.14 0.07 -0.01 -0.02 -0.01 -0.00 -0.01 0.01 -0.01 -0.02 0.01 -0.00 -0.18 0.15 0.04 0.05 0.03 -0.01 0.01 -0.17 -0.01 -0.01 0.12 0.01 -0.00 0.23 -0.03 0.05 -0.12 0.02 -0.01 -0.07 -0.03 -0.02 -0.06 0.04 0.01 0.05 -0.00 -0.15 0.13 0.03 -0.15 0.13 -0.08 -0.00 0.00 0.02 0.24 0.29 0.29 -0.15 -0.18 -0.19 -0.00 -0.00 -0.02 0.27 0.21 -0.31 -0.17 -0.13 0.20 -0.00 -0.05 0.00 -0.09 -0.09 0.01 -0.09 -0.10 -0.00 0.11 -0.05 -0.06 -0.04 0.02 0.02 0.10 -0.04 0.09 -0.03 0.01 -0.02 0.01 -0.02 -0.00 0.01 -0.01 0.01 0.01 0.02 -0.00 -0.10 0.01 0.03 0.08 0.01 -0.01 -0.04 -0.04 0.01 0.06 0.16 -0.03 0.45 -0.38 -0.08 0.09 0.02 -0.03 0.07 0.00 -0.01 -0.10 -0.53 -0.03 -0.04 -0.53 0.02 0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.02 -0.01 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.01 0.02 0.01 0.01 0.00 0.00 0.00 0.01 0.01 -0.01 0.02 0.01 -0.02 0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.02 0.06 0.00 -0.01 -0.02 -0.01 0.00 -0.01 0.01 -0.01 -0.01 -0.00 -0.03 -0.06 -0.04 0.06 -0.01 0.03 -0.08 0.02 0.06 -0.07 -0.13 0.04 -0.13 -0.06 0.06 0.02 -0.11 -0.03 0.01 -0.13 0.01 0.12 -0.12 -0.06 -0.05 -0.05 -0.02 0.09 0.31 -0.11 -0.36 0.08 0.20 0.39 -0.02 -0.17 -0.15 -0.06 -0.33 0.10 0.07 0.09 0.15 -0.18 0.31 -0.10 0.23 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.03 0.02 0.01 -0.00 0.00 -0.00 -0.01 -0.04 -0.00 -0.00 -0.00 0.01 -0.00 0.09 -0.02 0.01 -0.02 0.01 -0.00 -0.02 0.01 -0.01 -0.02 -0.00 -0.04 -0.16 0.03 -0.01 -0.13 -0.05 -0.04 -0.08 0.07 0.02 -0.08 -0.00 0.07 0.03 0.07 -0.02 -0.07 -0.15 0.03 -0.08 0.07 0.08 -0.03 -0.03 -0.02 -0.02 0.17 -0.02 0.31 -0.09 0.28 0.12 0.06 0.24 -0.02 -0.04 -0.27 0.18 0.25 0.11 -0.17 -0.31 -0.29 0.06 -0.28 -0.05 -0.05 0.29 0.03 -0.08 0.01 -0.04 -0.05 -0.01 -0.02 0.08 -0.01 -0.08 0.10 0.01 0.52 0.21 -0.02 -0.06 -0.00 0.02 0.02 -0.09 0.01 0.28 -0.08 0.03 0.41 -0.21 -0.07 0.33 0.17 -0.09 0.11 0.35 -0.00 0.09 0.15 -0.10 0.02 0.01 0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.03 0.04 0.04 0.03 0.03 -0.04 0.00 -0.00 0.00 0.01 0.02 0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.01 -0.01 -0.01 0.00 -0.02 0.01 -0.00 0.01 -0.01 0.01 0.01 -0.01 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 0.00 0.05 -0.01 -0.02 -0.05 0.01 -0.03 0.00 -0.00 -0.00 -0.01 -0.05 -0.03 -0.04 -0.01 0.02 0.01 0.00 0.00 -0.26 0.32 0.01 -0.27 -0.10 0.32 -0.02 -0.00 0.00 0.30 -0.37 0.12 0.27 0.19 0.38 -0.00 0.00 0.02 -0.02 -0.01 -0.01 -0.00 0.03 0.01 -0.07 -0.14 -0.03 -0.10 0.02 -0.12 0.10 0.15 -0.06 0.13 -0.06 -0.13 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.05 -0.02 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.03 -0.03 -0.02 0.01 -0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.01 -0.00 -0.02 -0.00 -0.04 -0.03 0.00 0.04 -0.01 -0.02 0.02 -0.00 0.02 -0.02 0.01 -0.00 0.23 0.31 0.28 0.27 0.25 -0.30 0.01 0.00 0.01 -0.23 0.25 -0.01 -0.21 -0.07 0.28 0.01 -0.00 -0.00 -0.16 0.18 -0.05 -0.12 -0.09 -0.21 -0.00 0.02 -0.00 0.13 -0.10 0.16 0.15 -0.13 -0.11 -0.08 -0.11 -0.01 -0.07 0.01 -0.13 -0.06 -0.07 0.01 -0.05 0.03 0.09 -0.00 -0.01 0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.02 -0.05 -0.02 -0.02 0.00 0.00 -0.01 0.00 -0.00 0.04 -0.02 -0.03 0.17 0.23 0.48 0.28 0.42 -0.18 0.01 0.01 -0.00 -0.43 0.06 -0.05 -0.13 0.07 0.42 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.02 0.02 -0.01 -0.01 -0.01 -0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.01 0.00 0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.03 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 -0.01 0.00 0.01 0.00 -0.00 0.04 -0.00 0.00 0.01 -0.00 -0.03 0.01 -0.00 0.00 0.03 0.04 -0.00 0.04 -0.01 -0.02 0.03 -0.01 0.03 0.02 -0.02 0.00 -0.19 -0.28 -0.25 -0.22 -0.22 0.27 0.01 0.00 0.01 -0.22 0.28 0.01 -0.22 -0.08 0.29 0.01 0.00 -0.01 -0.20 0.26 -0.09 -0.18 -0.13 -0.28 0.00 0.00 0.00 -0.11 0.09 -0.15 -0.13 0.12 0.10 -0.06 -0.11 -0.01 -0.07 0.01 -0.11 -0.06 -0.10 0.03 -0.07 0.03 0.09 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.06 -0.02 -0.04 -0.02 0.00 0.00 -0.00 0.00 -0.06 0.03 0.04 0.12 0.18 0.39 0.21 0.35 -0.15 -0.03 -0.02 0.01 0.53 -0.08 0.06 0.14 -0.09 -0.52 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 0.01 0.01 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.03 -0.02 0.04 0.03 -0.03 -0.03 -0.01 -0.02 -0.00 -0.01 0.00 -0.01 -0.00 -0.01 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.02 -0.01 -0.00 -0.00 0.00 0.02 -0.00 0.00 0.00 -0.01 -0.02 -0.00 0.00 -0.00 -0.02 -0.02 0.00 -0.01 0.00 0.01 0.02 -0.01 0.02 0.03 -0.04 0.01 0.08 0.10 0.10 0.09 0.08 -0.11 0.01 0.01 0.02 0.05 -0.05 0.01 0.04 0.01 -0.06 -0.05 -0.03 0.06 -0.11 0.13 -0.03 -0.10 -0.07 -0.13 -0.00 0.02 -0.03 -0.18 0.17 -0.26 -0.22 0.18 0.18 -0.09 -0.14 0.01 -0.08 0.01 -0.17 0.26 0.44 -0.14 0.32 -0.18 -0.38 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.02 -0.01 -0.01 -0.00 0.00 0.03 -0.01 0.00 0.01 -0.01 -0.03 -0.00 0.00 0.00 -0.02 -0.02 0.00 0.02 -0.01 -0.01 -0.01 0.00 -0.00 0.04 -0.05 0.00 0.09 0.12 0.12 0.11 0.09 -0.13 -0.04 -0.04 -0.05 -0.11 0.13 -0.01 -0.11 -0.05 0.13 0.01 0.00 -0.02 0.03 -0.03 0.00 0.02 0.01 0.04 -0.00 0.03 0.02 -0.22 0.15 -0.29 -0.24 0.25 0.20 0.22 0.45 0.05 0.26 -0.07 0.42 -0.07 -0.09 0.00 -0.06 0.03 0.12 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.02 -0.00 0.02 -0.01 -0.01 0.02 -0.01 0.02 -0.03 0.03 -0.01 -0.07 -0.10 -0.09 -0.08 -0.08 0.10 -0.03 -0.03 -0.04 -0.09 0.11 -0.00 -0.09 -0.04 0.11 -0.03 -0.02 0.04 -0.08 0.10 -0.03 -0.07 -0.06 -0.11 -0.02 0.00 -0.00 0.19 -0.16 0.26 0.22 -0.22 -0.18 0.17 0.35 0.04 0.20 -0.04 0.34 0.18 0.32 -0.11 0.22 -0.12 -0.28 0.12 0.28 -0.01 -0.19 -0.31 0.02 -0.40 0.12 0.04 0.01 0.03 -0.00 0.31 -0.13 -0.01 0.45 -0.07 -0.07 -0.04 0.01 0.00 0.17 0.00 0.08 0.13 0.02 -0.03 -0.07 -0.36 0.09 -0.10 -0.09 -0.01 -0.10 -0.16 0.13 0.03 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.01 -0.01 -0.01 0.02 0.00 -0.00 0.00 0.01 0.01 0.01 -0.02 -0.02 -0.02 0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.02 -0.01 0.02 -0.02 -0.00 -0.00 0.01 -0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.11 0.56 -0.04 -0.23 -0.32 0.01 0.36 -0.30 -0.01 0.00 0.02 0.01 0.28 -0.14 0.06 -0.28 0.05 0.04 0.01 -0.02 -0.01 0.16 -0.04 0.05 0.07 0.00 -0.03 -0.04 0.20 -0.03 0.04 0.05 0.01 0.05 0.14 -0.07 -0.05 -0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.02 0.02 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.02 0.04 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.02 -0.05 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.05 0.05 0.11 -0.09 0.19 0.12 0.69 -0.01 0.01 0.00 0.04 -0.01 -0.65 0.11 -0.02 0.06 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.02 -0.04 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.02 -0.00 -0.05 0.09 0.16 -0.14 0.16 0.10 0.60 0.01 -0.01 -0.00 -0.04 0.01 0.69 -0.23 0.02 -0.10 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 -0.03 -0.03 -0.01 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.23 -0.25 0.46 -0.35 0.65 -0.16 -0.00 -0.00 0.00 0.06 0.11 0.13 0.10 -0.20 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.01 -0.03 0.03 -0.07 -0.03 -0.08 0.01 0.01 -0.01 -0.01 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 0.05 -0.03 0.04 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.07 -0.07 0.14 -0.10 0.19 -0.04 0.01 0.00 -0.01 -0.19 -0.35 -0.43 -0.34 0.65 -0.02 -0.00 -0.00 0.00 -0.01 0.01 0.02 -0.01 0.00 -0.02 -0.02 0.02 -0.04 -0.01 -0.04 0.01 -0.05 0.06 0.07 -0.04 -0.10 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.04 0.05 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 -0.02 0.00 -0.26 -0.21 0.51 -0.18 -0.32 -0.48 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 0.01 0.01 0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.18 0.17 0.27 -0.13 0.09 -0.32 -0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.02 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.04 0.03 -0.01 -0.12 -0.10 0.24 -0.09 -0.15 -0.23 0.02 0.02 0.02 0.01 0.02 -0.03 0.02 -0.04 0.01 0.01 0.01 -0.01 0.01 0.01 0.02 0.02 -0.03 0.00 0.00 -0.00 -0.00 0.25 -0.23 -0.37 0.18 -0.12 0.44 -0.15 0.14 -0.30 -0.12 -0.33 0.06 -0.09 0.11 0.12 -0.06 -0.18 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.00 -0.03 -0.03 0.07 -0.02 -0.04 -0.06 -0.03 -0.02 -0.03 -0.02 -0.02 0.03 -0.03 0.05 -0.01 0.03 0.02 -0.03 0.01 0.03 0.03 0.03 -0.06 0.00 -0.00 -0.00 0.00 0.07 -0.06 -0.10 0.05 -0.03 0.11 0.20 -0.19 0.40 0.16 0.45 -0.09 -0.23 0.28 0.31 -0.17 -0.45 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.02 -0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.03 0.02 -0.00 -0.08 -0.07 0.17 -0.06 -0.10 -0.16 -0.02 -0.02 -0.02 -0.02 -0.02 0.04 -0.03 0.06 -0.02 -0.03 -0.01 0.03 -0.02 -0.04 -0.05 -0.05 0.09 -0.00 -0.00 0.00 -0.00 0.16 -0.15 -0.24 0.12 -0.08 0.29 0.14 -0.13 0.29 0.12 0.33 -0.06 0.22 -0.27 -0.31 0.16 0.44 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.04 0.04 0.01 -0.02 -0.00 0.00 -0.00 -0.00 -0.06 0.01 -0.03 0.26 0.46 -0.35 -0.03 -0.02 -0.10 -0.02 0.04 -0.00 -0.02 0.00 0.15 0.70 -0.08 0.26 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 0.04 -0.05 -0.01 0.03 0.00 0.00 -0.00 -0.00 -0.05 0.00 -0.04 -0.30 -0.53 0.40 0.07 0.05 0.23 -0.02 0.03 -0.00 -0.02 0.00 0.22 0.56 -0.06 0.21 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.06 -0.06 0.00 -0.02 -0.01 0.00 -0.00 -0.01 0.02 0.02 -0.05 -0.02 -0.03 -0.04 0.00 -0.03 0.02 -0.28 -0.29 0.55 0.25 -0.44 0.10 -0.00 0.01 0.00 0.07 0.11 0.14 -0.07 0.13 -0.01 -0.00 0.00 0.00 -0.02 0.02 0.03 0.02 -0.01 0.04 -0.12 0.11 -0.24 0.10 0.28 -0.04 0.04 -0.05 -0.06 -0.03 -0.09 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.02 0.02 0.00 -0.07 -0.04 0.00 -0.00 -0.01 0.02 0.02 -0.04 -0.02 -0.02 -0.04 -0.00 0.01 -0.01 0.08 0.09 -0.16 -0.07 0.13 -0.03 -0.00 0.04 0.02 0.22 0.38 0.48 -0.24 0.45 -0.03 0.00 -0.00 0.00 -0.03 0.02 0.04 0.02 -0.02 0.05 0.03 -0.03 0.07 -0.03 -0.08 0.01 0.16 -0.18 -0.22 -0.12 -0.31 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.06 -0.00 -0.01 0.01 -0.00 0.01 0.01 0.01 -0.01 -0.07 0.18 0.16 -0.35 -0.13 -0.23 -0.34 0.00 -0.00 0.00 0.03 0.03 -0.06 -0.03 0.05 -0.01 -0.00 -0.00 -0.00 -0.04 -0.06 -0.08 0.04 -0.07 0.00 0.00 -0.00 -0.00 -0.27 0.25 0.39 0.21 -0.15 0.49 -0.01 0.01 -0.02 0.01 0.02 -0.00 -0.01 0.01 0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.03 -0.00 -0.02 0.02 -0.00 0.02 0.01 0.00 -0.00 -0.01 -0.10 -0.08 0.18 0.07 0.12 0.17 0.00 -0.05 0.04 0.10 0.10 -0.20 -0.09 0.16 -0.04 -0.00 0.05 0.02 -0.07 -0.13 -0.16 0.08 -0.15 0.01 0.00 -0.00 -0.00 -0.06 0.05 0.08 0.04 -0.03 0.10 -0.20 0.17 -0.39 0.16 0.43 -0.07 0.18 -0.21 -0.25 -0.13 -0.34 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.02 0.02 0.00 -0.03 -0.02 -0.00 0.00 0.01 0.02 0.02 -0.04 -0.01 -0.02 -0.04 0.00 -0.04 0.03 0.10 0.10 -0.18 -0.09 0.15 -0.03 0.01 -0.06 -0.02 0.10 0.17 0.21 -0.11 0.20 -0.01 0.00 -0.00 0.00 0.02 -0.02 -0.03 -0.02 0.01 -0.04 -0.17 0.15 -0.34 0.14 0.37 -0.06 -0.23 0.27 0.31 0.17 0.43 -0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.07 0.00 0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.06 -0.22 -0.18 0.41 0.16 0.27 0.40 -0.00 0.01 -0.01 -0.03 -0.03 0.06 0.03 -0.05 0.01 0.00 -0.02 -0.01 0.04 0.07 0.09 -0.04 0.08 -0.00 0.00 -0.00 -0.00 -0.21 0.19 0.30 0.17 -0.11 0.38 0.05 -0.05 0.11 -0.04 -0.11 0.02 -0.09 0.10 0.12 0.06 0.16 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 0.03 0.00 0.04 -0.08 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.41 0.90 -0.06 0.00 -0.00 -0.00 -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.03 -0.08 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.43 0.90 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 0.03 -0.02 0.00 -0.00 0.00 0.01 -0.03 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.01 0.01 0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 6 6 6 6 1 6 6 1 1 1 1 1 6 6 6 6 6 1 1 6 1 1 6 1 1 6 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 6 6 6 6 1 6 6 1 1 1 1 1 6 6 6 6 6 1 1 6 1 1 6 1 1 6 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 186.14085 1154.66104 4191.68854 4499.72135 0.99999 0.00481 -0.00233 -0.00479 0.99996 0.00761 0.00236 -0.0076 0.99997 asymmetric 1 0.07501 0.02066 0.01925 1.56301 0.43055 0.40108 730435.3 22.43 71.84 114.74 188.80 224.70 246.54 293.51 307.96 360.49 438.27 442.74 524.71 531.09 668.69 805.56 808.81 834.85 836.92 879.34 913.04 1073.44 1084.24 1085.95 1091.87 1111.84 1192.59 1227.09 1248.44 1305.73 1310.88 1350.57 1352.40 1354.33 1415.17 1419.23 1437.74 1475.48 1504.19 1526.33 1530.16 1545.58 1576.04 1683.11 1722.56 1724.65 1736.37 1765.01 1799.66 1800.34 1819.54 1823.92 1835.33 1845.67 1855.48 1875.73 1898.39 1909.27 1918.25 1942.61 1943.53 1993.30 2068.17 2072.27 2082.67 2089.94 2103.53 2112.17 2112.56 2133.44 2381.82 2535.66 4330.03 4335.69 4391.64 4397.56 4414.77 4423.78 4424.60 4426.45 4467.39 4472.58 4503.44 4506.73 4512.36 4524.26 4529.11 4532.97 4571.73 4618.03 0.278208 0.291299 0.292243 0.237605 -543.201545 -543.188453 -543.187509 -543.242148 182.793 51.652 114.997 0.000 0.000 0.000 0.889 2.981 41.570 0.889 2.981 31.455 181.016 45.690 41.972 1 0.593 1.986 7.129 2 0.595 1.978 4.820 3 0.600 1.963 3.897 4 0.612 1.922 2.928 5 0.620 1.896 2.596 6 0.626 1.878 2.421 7 0.640 1.834 2.097 8 0.644 1.820 2.009 9 0.663 1.762 1.727 10 0.696 1.665 1.391 11 0.698 1.659 1.375 12 0.738 1.545 1.102 13 0.741 1.536 1.083 14 0.822 1.328 0.752 15 0.916 1.118 0.524 16 0.918 1.113 0.520 17 0.937 1.074 0.485 18 0.938 1.071 0.482 19 0.970 1.008 0.431 0.474456e+19 18.676196 43.003530 0.284524e+05 4.454119 10.255988 0.100000e+01 0.000000 0.000000 0.998197e+08 7.999216 18.418876 0.167055e+07 6.222860 14.328665 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -1.8044 1.3393 -0.3612 2.2760 -81.6299 -84.8388 -85.7807 1.8312 -0.8078 0.5286 2.4533 -0.7556 -1.6976 1.8312 -0.8078 0.5286 10.3540 4.2566 -3.1189 -3.2996 2.4100 -1.1208 -8.3879 4.9849 0.3039 0.4021 -3021.3408 -697.0535 -451.9358 -6.3913 -3.7767 12.7211 0.0809 -1.3276 2.5592 -611.7241 -585.9679 -197.3676 1.3188 -4.0489 0.0358 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -543.4797526 0.265822 0. 0.025968 4.301E-9 8.874E-7 0.2782081 0.2912993 -543.1884533 -543.1875092 -543.2421478 C01 [X(C14H18)] -0.7096478 -0.4963775 0.2276127 0.0783463 -0.7940695 0.201741 -0.0555732 -0.2641511 0.049451 -0.2018006 -0.0911432 -0.0172944 0.278548 0.3848399 -0.1215758 -0.0328745 0.187206 -0.079123 -0.026161 0.0757978 -0.1777959 0.6652598 0.7158959 -0.2476653 -0.6501771 -0.3011209 0.0808466 0.3690292 0.1316179 -0.1910046 0.0967173 -0.1104273 0.0089342 -0.0331554 -0.1254834 0.0558169 -0.0732894 -0.0497663 0.1755441 -0.012043 -0.1023605 0.0180221 0.0208617 -0.0245498 0.0173517 0.0577768 0.0330066 0.0993439 0.1629835 -0.0076684 0.0609324 0.69146 0.3274295 -0.1815096 -0.0513427 -0.0795555 -0.1131506 -0.1021954 -0.048959 -0.0018495 -0.2149457 -0.0622818 0.0497216 -0.0077473 0.0043497 0.1720491 -0.0242298 0.105368 -0.0501072 0.0834874 -0.02257 0.0549838 -0.0708988 0.0917523 -0.00252 -0.0423765 0.1150119 0.0208247 -0.0211155 0.0316358 -0.0553082 0.1008077 -0.106628 -0.1038366 -0.0470678 -0.0674717 0.0061819 -0.1175966 -0.1005269 0.0574735 0.0093934 0.0485711 0.0909606 -0.0123351 -0.0328169 0.0006964 0.1191679 0.056137 -0.0225179 -0.1491002 -0.0664236 -0.1459228 -0.217994 -0.0384111 0.0381733 0.0786194 0.0832525 -0.0072919 0.0296076 0.0032465 0.0483439 -2.4761056 -0.0633464 0.106569 0.3324391 -0.1081849 -0.0397959 0.0664839 -0.0363542 -0.1970109 0.3033513 0.0019371 -0.0133055 -0.1885195 0.1333698 -0.0283772 0.0448532 -0.0317961 0.0123819 0.4513412 0.0683607 -0.0048966 0.113904 0.0318239 0.0863663 0.0904933 0.074466 0.1055037 0.4239836 0.0611567 -0.0540222 0.0192314 -0.0333791 -0.0063643 -0.179526 0.0202142 0.1797544 0.1530291 0.0898808 -0.0249889 0.1780464 0.0972324 -0.0169431 -0.0632671 -0.0185319 0.0677367 0.0425598 0.0491702 -0.063148 -0.0497397 0.0184064 0.0331694 -0.0647274 0.0571092 -0.0657171 0.0607411 0.0589007 0.0250979 -0.0194385 -0.0465862 -0.0498576 0.0653935 -0.0861035 -0.0144758 0.1391505 -0.0344261 -0.0602238 -0.1816324 0.0484488 0.0226593 -0.1127457 -0.0307013 0.0687775 0.0643692 0.0218216 -0.0667518 0.0860684 0.0558298 0.0403489 -0.0270032 0.0056541 -0.0874084 0.0041933 -0.0734936 -0.0041572 -0.0044955 -0.0155893 -0.0003099 0.1426135 0.0691584 0.0253575 0.1676783 -0.0050499 0.0601119 -0.091546 0.0616951 -0.0120741 0.168094 0.0387392 0.0388913 0.0667402 0.0468606 0.03724 0.0760611 -0.0066191 -0.1025509 -0.035248 -0.0571371 -0.0352851 -0.0142061 -0.066085 0.0509535 -0.0580187 -0.0297692 0.0413012 -0.1168147 -0.0237813 0.0511243 -0.0654357 -0.2786954 0.0848457 -0.0813432 0.1628281 0.0091331 0.0364855 0.0222422 0.1660137 -0.0464582 -0.0602695 -0.0339961 -0.1282106 -0.03675 -0.0429131 -0.0890458 -0.0975398 -0.0074568 -0.0195334 -0.0195582 0.0488746 -0.0516383 0.0384587 0.0158296 0.1374096 0.0678024 -0.1056703 -0.0190653 0.0130351 0.0609203 0.0020135 0.0602617 0.0527894 0.1415771 0.0036415 -0.1082622 -0.0051035 0.0524231 0.0008119 0.1338612 -0.1057082 0.0016523 -0.0147109 0.0709222 0.0456737 -0.0402861 -0.0273313 -0.0600296 -0.0852648 -0.0135226 -0.1021232 -0.1204547 -0.0579396 -0.01541 -0.0145572 0.0457776 -0.0242134 0.130064 -0.0972228 0.078165 -0.0561349 0.0151103 0.0407653 246.6352213|18.3370988|148.3680066|-5.3892175|-6.9805912|114.1500998 -0.000000016 -0.000000525 -0.000000144 -0.000000648 -0.000000972 -0.000000404 0.000000506 -0.000000809 0.000000115 -0.000000540 -0.000001699 -0.000000519 -0.000001010 -0.000000749 -0.000000590 0.000000692 -0.000001463 0.000000053 0.000000170 -0.000002014 -0.000000257 -0.000000839 -0.000002075 -0.000000691 -0.000000811 -0.000001631 -0.000000614 0.000001147 -0.000001637 0.000000222 0.000000365 -0.000002296 -0.000000231 0.000000172 -0.000002448 -0.000000331 0.000000046 0.000000416 0.000000071 -0.000000711 0.000000469 -0.000000215 0.000000624 0.000000297 0.000000360 -0.000000031 0.000000902 0.000000150 -0.000000608 0.000001293 -0.000000061 -0.000000782 0.000000056 -0.000000304 -0.000001130 0.000000503 -0.000000391 0.000000690 0.000000989 0.000000425 0.000000552 -0.000000192 0.000000210 0.000001072 0.000000050 0.000000449 0.000000220 0.000001635 0.000000334 -0.000000359 0.000000833 -0.000000018 0.000000564 0.000000668 0.000000337 0.000000079 0.000001246 0.000000292 -0.000000987 0.000001699 -0.000000148 -0.000000605 0.000001258 -0.000000047 0.000000668 0.000001021 0.000000457 0.000001177 0.000001271 0.000000710 -0.000000279 0.000002033 0.000000214 0.000000614 0.000001869 0.000000568 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;16;17;20;23;26;5;8;9;10;11;12;18;19;21;22;24;25;27;28;29;30;31;32/rA:32nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1943,-.114,-.1329;1.8178,-1.2629,.1212;1.7411,1.0671,-.4381;3.3457,-1.164,.0402;1.3594,-2.2434,.2679;3.0362,1.3643,-.338;3.9043,.2521,.267;3.8065,-1.8592,.759;3.6409,-1.5249,-.965;3.4945,2.3321,-.5674;3.9865,.4471,1.3545;4.9305,.3067,-.1286;-.9325,-.0733,-.0183;-1.2131,-1.5337,.4086;-.9672,1.0488,1.0519;-1.1318,.3361,-1.5002;-2.7501,-1.3693,.4826;-.7318,-1.7883,1.3647;-.8747,-2.2581,-.3471;-2.5081,1.1855,1.0944;-.503,.7339,1.9991;-.4285,1.9399,.6889;-2.6741,.4521,-1.4284;-.7536,-.4243,-2.2004;-.6006,1.2799,-1.706;-2.638,.0884,.0484;-3.3185,-1.9992,-.2176;-3.1795,-1.4977,1.4873;-2.9685,.9327,2.0608;-2.896,2.1621,.7698;-3.2184,-.2764,-2.0472;-3.0772,1.4541,-1.6364; Gaussian 16 GINC-N7011 ZW519 L-TS-cyclohexatriene-fo_tight_redo ES64L-G16RevC.02 90 C1[X(C14H18)] UwB97XD def2SVP Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk UwB97XD/def2SVP Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;16;17;20;23;26;5;8;9;10;11;12;18;19;21;22;24;25;27;28;29;30;31;32/rA:32nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1943,-.114,-.1329;1.8178,-1.2629,.1212;1.7411,1.0671,-.4381;3.3457,-1.164,.0402;1.3594,-2.2434,.2679;3.0362,1.3643,-.338;3.9043,.2521,.267;3.8065,-1.8592,.759;3.6409,-1.5249,-.965;3.4945,2.3321,-.5674;3.9865,.4471,1.3545;4.9305,.3067,-.1286;-.9325,-.0733,-.0183;-1.2131,-1.5337,.4086;-.9672,1.0488,1.0519;-1.1318,.3361,-1.5002;-2.7501,-1.3693,.4826;-.7318,-1.7883,1.3647;-.8747,-2.2581,-.3471;-2.5081,1.1855,1.0944;-.503,.7339,1.9991;-.4285,1.9399,.6889;-2.6741,.4521,-1.4284;-.7536,-.4243,-2.2004;-.6006,1.2799,-1.706;-2.638,.0884,.0484;-3.3185,-1.9992,-.2176;-3.1795,-1.4977,1.4873;-2.9685,.9327,2.0608;-2.896,2.1621,.7698;-3.2184,-.2764,-2.0472;-3.0772,1.4541,-1.6364; L-TS-cyclohexatriene-fo_tight_redo Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 12 12 12 12 1 12 12 1 1 1 1 1 12 12 12 12 12 1 1 12 1 1 12 1 1 12 1 1 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 1 0 0 1 1 1 1 1 0 0 0 0 0 1 1 0 1 1 0 1 1 0 1 1 1 1 1 1 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /u/local/apps/gaussian/G16_C02/g16_avx2/l101.exe) Structure from the checkpoint file: "/work/9672030.1.houk_pod_xgold.q/Gau-10617.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 1 1 1 2 2 3 4 4 4 5 6 6 7 7 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 20 20 20 23 23 23 2 3 13 4 5 6 7 8 9 19 7 10 11 12 14 15 16 26 17 18 19 20 21 22 23 24 25 26 27 28 26 29 30 26 31 32 1.3316 1.3368 2.1304 1.5332 1.0923 1.3326 1.5391 1.1011 1.1081 2.3172 1.5351 1.0951 1.1079 1.1012 1.5472 1.5511 1.5502 1.7145 1.5475 1.1003 1.1002 1.5476 1.1008 1.1027 1.5483 1.1007 1.1025 1.5251 1.1001 1.1001 1.5213 1.1 1.0999 1.5213 1.1 1.0999 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 2 2 3 1 1 4 1 2 2 2 7 7 8 2 3 3 7 4 4 4 6 6 11 1 1 1 14 14 14 15 15 16 13 13 13 17 17 18 13 13 13 20 20 21 13 13 13 23 23 24 14 14 14 26 26 27 5 15 15 15 26 26 29 16 16 16 26 26 31 13 13 13 17 17 20 1 1 1 2 2 2 3 4 4 4 4 4 4 5 6 6 6 7 7 7 7 7 7 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 19 20 20 20 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 3 13 13 4 5 5 6 7 8 9 8 9 9 19 7 10 10 6 11 12 11 12 12 14 15 16 15 16 26 16 26 26 17 18 19 18 19 19 20 21 22 21 22 22 23 24 25 24 25 25 26 27 28 27 28 28 14 26 29 30 29 30 30 26 31 32 31 32 32 17 20 23 20 23 23 127.9035 118.274 113.8102 113.6297 127.1255 118.9009 125.2704 114.4104 109.9896 107.0067 109.4366 109.6737 105.9638 112.0068 114.6829 126.0221 119.0914 113.7815 109.4837 109.319 107.5387 110.4557 105.9518 100.2443 94.2013 94.7029 119.2377 119.3214 84.1397 117.7528 83.2616 83.362 95.3385 112.2637 112.099 114.6748 114.0972 108.0585 96.0287 112.166 110.271 114.9322 115.0958 107.9686 95.9414 112.4247 110.0331 115.0617 115.1211 107.8821 90.8584 114.9554 114.771 113.8324 113.5911 108.2233 96.3193 90.1448 114.871 114.926 113.7458 114.0373 108.4036 90.2022 114.6568 115.125 113.547 114.2117 108.392 89.6548 90.5639 90.4768 119.9861 120.205 119.804 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A76 A77 1 1 13 13 26 26 14 14 -1 -2 184.384 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 179.6413 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 3 3 13 13 2 13 2 2 2 3 3 3 1 1 1 5 5 5 1 4 1 1 2 2 2 8 8 8 9 9 9 2 3 3 3 10 10 10 1 1 1 15 15 15 16 16 16 26 26 26 1 1 1 14 14 14 16 16 16 26 26 26 1 1 1 14 14 14 15 15 15 26 26 26 14 14 14 15 15 15 16 16 16 13 13 13 18 18 18 19 19 19 13 17 18 13 13 13 21 21 21 22 22 22 13 13 13 24 24 24 25 25 25 14 14 14 27 27 27 28 28 28 15 15 15 29 29 29 30 30 30 16 16 16 31 31 31 32 32 32 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 4 4 4 4 4 4 4 4 4 5 6 6 6 6 6 6 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 20 20 20 23 23 23 23 23 23 23 23 23 2 2 2 2 3 3 13 13 13 13 13 13 4 4 4 4 4 4 5 5 6 6 7 7 7 7 7 7 7 7 7 19 7 7 7 7 7 7 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 16 16 16 26 26 26 26 26 26 26 26 26 17 17 17 17 17 17 17 17 17 19 19 19 20 20 20 20 20 20 20 20 20 23 23 23 23 23 23 23 23 23 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 4 5 4 5 6 6 14 15 16 14 15 16 7 8 9 7 8 9 19 19 7 10 6 11 12 6 11 12 6 11 12 14 4 11 12 4 11 12 17 18 19 17 18 19 17 18 19 17 18 19 20 21 22 20 21 22 20 21 22 20 21 22 23 24 25 23 24 25 23 24 25 23 24 25 17 20 23 17 20 23 17 20 23 26 27 28 26 27 28 26 27 28 5 5 5 26 29 30 26 29 30 26 29 30 26 31 32 26 31 32 26 31 32 13 20 23 13 20 23 13 20 23 13 17 23 13 17 23 13 17 23 13 17 20 13 17 20 13 17 20 -0.0275 -173.1567 -178.6682 8.2026 -11.3121 167.3794 1.4885 122.2163 -119.4548 -177.3392 -56.6114 61.7175 24.1265 147.7647 -97.5707 -162.1284 -38.4902 76.1743 12.1114 -160.6968 -4.1105 -178.8439 -37.3317 83.0143 -161.3309 -161.266 -40.92 74.7347 82.8917 -156.7623 -41.1076 -63.5139 27.5118 -93.9228 150.8943 -157.3616 81.2037 -33.9792 178.959 59.5318 -62.3215 78.2117 -41.2155 -163.0688 -79.6754 160.8974 39.0441 -0.6823 -120.1095 118.0372 176.1531 -63.7977 56.5719 -79.6368 40.4124 160.782 78.594 -161.3569 -40.9873 -0.2372 119.812 -119.8184 -177.005 62.752 -57.5157 78.4658 -41.7772 -162.0449 -79.7462 160.0108 39.7431 -0.9745 -121.2175 118.5148 0.6893 120.6737 -119.5142 -119.7445 0.2399 120.0521 121.1899 -118.8257 0.9864 0.763 117.6797 -115.8348 118.2591 -124.8243 1.6612 -116.3478 0.5689 127.0544 80.6891 -172.3566 -43.5388 0.2654 116.6898 -116.5004 -117.605 -1.1807 125.6291 115.9977 -127.578 -0.7682 1.0909 -115.0899 118.1316 119.2587 3.0779 -123.7006 -114.3253 129.494 2.7154 -0.6856 -91.1374 89.6651 -118.5845 150.9637 -28.2338 116.9469 26.4951 -152.7024 -0.2388 89.688 -91.1113 -117.6639 -27.7371 151.4636 117.3157 -152.7575 26.4432 -0.9811 -90.8592 89.9419 116.1878 26.3098 -152.8892 -118.8295 151.2924 -27.9065 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. saddle point Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. -0.05724 0.00017 0.00060 0.00223 0.00262 0.00361 0.00464 0.00531 0.00998 0.01199 0.01548 0.01705 0.01727 0.01768 0.01846 0.02130 0.02177 0.02550 0.02777 0.03039 0.03161 0.03362 0.03523 0.03563 0.03911 0.04044 0.04115 0.04219 0.04234 0.04318 0.04481 0.04770 0.04788 0.04900 0.04935 0.05092 0.05123 0.05211 0.05577 0.05776 0.05859 0.06286 0.06402 0.06574 0.07219 0.07536 0.07937 0.08471 0.08787 0.09226 0.09585 0.10152 0.10309 0.10507 0.11058 0.16434 0.17459 0.20062 0.20497 0.20561 0.22023 0.22491 0.23536 0.24648 0.26412 0.26820 0.28007 0.28520 0.29843 0.31867 0.32408 0.32495 0.33572 0.33714 0.33927 0.34014 0.34038 0.34041 0.34063 0.34131 0.34142 0.34172 0.34269 0.34320 0.34333 0.34443 0.35597 0.45439 0.54135 0.59515 R3 R18 A1 R2 A2 1 0.65617 -0.32369 0.19359 -0.17050 -0.15428 A4 D43 D71 D59 D47 Angle between quadratic step and forces= 67.63 degrees. 1 2 0.00000148 0.00000000 0.00000000 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 2.51641 2.52624 4.02579 2.89727 2.06416 2.51816 2.90855 2.08077 2.09395 4.37894 2.90092 2.06936 2.09353 2.08097 2.92372 2.93110 2.92954 3.23987 2.92431 2.07920 2.07900 2.92449 2.08013 2.08386 2.92578 2.07993 2.08334 2.88209 2.07891 2.07890 2.87479 2.07862 2.07847 2.87490 2.07869 2.07851 2.23234 2.06427 1.98636 1.98321 2.21876 2.07521 2.18638 1.99684 1.91968 1.86762 1.91003 1.91417 1.84942 1.95489 2.00159 2.19950 2.07854 1.98586 1.91085 1.90798 1.87690 1.92781 1.84921 1.74959 1.64412 1.65288 2.08109 2.08255 1.46852 2.05517 1.45319 1.45494 1.66397 1.95937 1.95650 2.00145 1.99137 1.88598 1.67602 1.95767 1.92459 2.00594 2.00880 1.88441 1.67449 1.96218 1.92044 2.00821 2.00924 1.88290 1.58578 2.00635 2.00313 1.98675 1.98254 1.88885 1.68109 1.57332 2.00488 2.00584 1.98524 1.99033 1.89200 1.57432 2.00114 2.00931 1.98177 1.99337 1.89180 1.56477 1.58064 1.57912 2.09415 2.09797 2.09097 3.21811 3.13533 -0.00048 -3.02215 -3.11835 0.14316 -0.19743 2.92132 0.02598 2.13308 -2.08488 -3.09515 -0.98806 1.07717 0.42109 2.57898 -1.70293 -2.82968 -0.67178 1.32949 0.21138 -2.80469 -0.07174 -3.12142 -0.65156 1.44887 -2.81576 -2.81462 -0.71419 1.30437 1.44673 -2.73602 -0.71746 -1.10853 0.48017 -1.63926 2.63360 -2.74648 1.41727 -0.59305 3.12342 1.03903 -1.08772 1.36505 -0.71935 -2.84609 -1.39060 2.80819 0.68145 -0.01191 -2.09631 2.06014 3.07445 -1.11348 0.98737 -1.38992 0.70533 2.80618 1.37172 -2.81621 -0.71536 -0.00414 2.09111 -2.09123 -3.08932 1.09523 -1.00384 1.36949 -0.72915 -2.82822 -1.39183 2.79272 0.69365 -0.01701 -2.11564 2.06847 0.01203 2.10615 -2.08592 -2.08994 0.00419 2.09530 2.11516 -2.07390 0.01722 0.01332 2.05390 -2.02170 2.06401 -2.17859 0.02899 -2.03065 0.00993 2.21752 1.40829 -3.00819 -0.75989 0.00463 2.03662 -2.03332 -2.05259 -0.02061 2.19264 2.02454 -2.22666 -0.01341 0.01904 -2.00870 2.06179 2.08146 0.05372 -2.15898 -1.99535 2.26010 0.04739 -0.01197 -1.59065 1.56495 -2.06969 2.63481 -0.49277 2.04111 0.46243 -2.66516 -0.00417 1.56535 -1.59019 -2.05362 -0.48410 2.64354 2.04755 -2.66612 0.46152 -0.01712 -1.58579 1.56978 2.02786 0.45919 -2.66842 -2.07397 2.64055 -0.48706 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 2.51641 2.52624 4.02579 2.89727 2.06416 2.51816 2.90855 2.08077 2.09395 4.37894 2.90092 2.06936 2.09353 2.08097 2.92372 2.93110 2.92954 3.23987 2.92431 2.07920 2.07900 2.92449 2.08013 2.08386 2.92578 2.07993 2.08334 2.88209 2.07891 2.07890 2.87479 2.07862 2.07847 2.87490 2.07869 2.07851 2.23234 2.06427 1.98636 1.98321 2.21876 2.07521 2.18638 1.99684 1.91968 1.86762 1.91003 1.91417 1.84942 1.95489 2.00159 2.19950 2.07854 1.98586 1.91085 1.90798 1.87690 1.92781 1.84921 1.74959 1.64412 1.65288 2.08109 2.08255 1.46852 2.05517 1.45319 1.45494 1.66397 1.95937 1.95650 2.00145 1.99137 1.88598 1.67602 1.95767 1.92459 2.00594 2.00880 1.88441 1.67449 1.96218 1.92044 2.00821 2.00924 1.88290 1.58578 2.00635 2.00313 1.98675 1.98254 1.88885 1.68109 1.57332 2.00488 2.00584 1.98524 1.99033 1.89200 1.57432 2.00114 2.00931 1.98177 1.99337 1.89180 1.56477 1.58064 1.57912 2.09415 2.09797 2.09097 3.21811 3.13533 -0.00048 -3.02215 -3.11835 0.14316 -0.19743 2.92132 0.02598 2.13308 -2.08488 -3.09515 -0.98806 1.07717 0.42109 2.57898 -1.70293 -2.82968 -0.67178 1.32949 0.21138 -2.80469 -0.07174 -3.12142 -0.65156 1.44888 -2.81575 -2.81462 -0.71419 1.30437 1.44673 -2.73602 -0.71746 -1.10852 0.48017 -1.63926 2.63360 -2.74648 1.41727 -0.59305 3.12343 1.03903 -1.08771 1.36505 -0.71935 -2.84609 -1.39060 2.80819 0.68145 -0.01191 -2.09631 2.06014 3.07445 -1.11348 0.98736 -1.38992 0.70533 2.80618 1.37172 -2.81621 -0.71536 -0.00414 2.09111 -2.09123 -3.08932 1.09523 -1.00384 1.36949 -0.72915 -2.82822 -1.39183 2.79272 0.69365 -0.01701 -2.11564 2.06847 0.01203 2.10615 -2.08592 -2.08994 0.00419 2.09530 2.11516 -2.07390 0.01722 0.01332 2.05390 -2.02170 2.06401 -2.17859 0.02899 -2.03065 0.00993 2.21752 1.40829 -3.00819 -0.75990 0.00463 2.03662 -2.03332 -2.05259 -0.02061 2.19264 2.02454 -2.22666 -0.01341 0.01904 -2.00870 2.06179 2.08146 0.05372 -2.15898 -1.99535 2.26010 0.04739 -0.01197 -1.59065 1.56495 -2.06969 2.63481 -0.49277 2.04111 0.46243 -2.66516 -0.00417 1.56535 -1.59019 -2.05362 -0.48410 2.64354 2.04755 -2.66612 0.46152 -0.01712 -1.58579 1.56978 2.02786 0.45919 -2.66842 -2.07397 2.64055 -0.48706 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000000 0.000000 0.000009 0.000001 0.000015 0.000010 0.000060 0.000040 YES YES YES YES -3.236562e-13 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 1 1 1 2 2 3 4 4 4 5 6 6 7 7 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 20 20 20 23 23 23 2 3 13 4 5 6 7 8 9 19 7 10 11 12 14 15 16 26 17 18 19 20 21 22 23 24 25 26 27 28 26 29 30 26 31 32 1.3316 1.3368 2.1304 1.5332 1.0923 1.3326 1.5391 1.1011 1.1081 2.3172 1.5351 1.0951 1.1079 1.1012 1.5472 1.5511 1.5502 1.7145 1.5475 1.1003 1.1002 1.5476 1.1008 1.1027 1.5483 1.1007 1.1025 1.5251 1.1001 1.1001 1.5213 1.1 1.0999 1.5213 1.1 1.0999 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 2 2 3 1 1 4 1 2 2 2 7 7 8 2 3 3 7 4 4 4 6 6 11 1 1 1 14 14 14 15 15 16 13 13 13 17 17 18 13 13 13 20 20 21 13 13 13 23 23 24 14 14 14 26 26 27 5 15 15 15 26 26 29 16 16 16 26 26 31 13 13 13 17 17 20 1 1 1 2 2 2 3 4 4 4 4 4 4 5 6 6 6 7 7 7 7 7 7 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 19 20 20 20 20 20 20 23 23 23 23 23 23 26 26 26 26 26 26 3 13 13 4 5 5 6 7 8 9 8 9 9 19 7 10 10 6 11 12 11 12 12 14 15 16 15 16 26 16 26 26 17 18 19 18 19 19 20 21 22 21 22 22 23 24 25 24 25 25 26 27 28 27 28 28 14 26 29 30 29 30 30 26 31 32 31 32 32 17 20 23 20 23 23 127.9035 118.274 113.8102 113.6297 127.1255 118.9009 125.2704 114.4104 109.9896 107.0067 109.4366 109.6737 105.9638 112.0068 114.6829 126.0221 119.0914 113.7815 109.4837 109.319 107.5387 110.4557 105.9518 100.2443 94.2013 94.7029 119.2377 119.3214 84.1397 117.7528 83.2616 83.362 95.3385 112.2637 112.099 114.6748 114.0972 108.0585 96.0287 112.166 110.271 114.9322 115.0958 107.9686 95.9414 112.4247 110.0331 115.0617 115.1211 107.8821 90.8584 114.9554 114.771 113.8324 113.5911 108.2233 96.3193 90.1448 114.871 114.926 113.7458 114.0373 108.4036 90.2022 114.6568 115.125 113.547 114.2117 108.392 89.6548 90.5639 90.4768 119.9861 120.205 119.804 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A76 1 13 26 14 -1 184.384 -DE/DX|=|0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 3 3 13 13 2 13 2 2 2 3 3 3 1 1 1 5 5 5 1 4 1 1 2 2 2 8 8 8 9 9 9 2 3 3 3 10 10 10 1 1 1 15 15 15 16 16 16 26 26 26 1 1 1 14 14 14 16 16 16 26 26 26 1 1 1 14 14 14 15 15 15 26 26 26 14 14 14 15 15 15 16 16 16 13 13 13 18 18 18 19 19 19 13 17 18 13 13 13 21 21 21 22 22 22 13 13 13 24 24 24 25 25 25 14 14 14 27 27 27 28 28 28 15 15 15 29 29 29 30 30 30 16 16 16 31 31 31 32 32 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 4 4 4 4 4 4 4 4 4 5 6 6 6 6 6 6 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 20 20 20 20 20 20 20 20 20 23 23 23 23 23 23 23 23 2 2 2 2 3 3 13 13 13 13 13 13 4 4 4 4 4 4 5 5 6 6 7 7 7 7 7 7 7 7 7 19 7 7 7 7 7 7 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 16 16 16 26 26 26 26 26 26 26 26 26 17 17 17 17 17 17 17 17 17 19 19 19 20 20 20 20 20 20 20 20 20 23 23 23 23 23 23 23 23 23 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 26 4 5 4 5 6 6 14 15 16 14 15 16 7 8 9 7 8 9 19 19 7 10 6 11 12 6 11 12 6 11 12 14 4 11 12 4 11 12 17 18 19 17 18 19 17 18 19 17 18 19 20 21 22 20 21 22 20 21 22 20 21 22 23 24 25 23 24 25 23 24 25 23 24 25 17 20 23 17 20 23 17 20 23 26 27 28 26 27 28 26 27 28 5 5 5 26 29 30 26 29 30 26 29 30 26 31 32 26 31 32 26 31 32 13 20 23 13 20 23 13 20 23 13 17 23 13 17 23 13 17 23 13 17 20 13 17 20 13 17 -0.0275 -173.1567 -178.6682 8.2026 -11.3121 167.3794 1.4885 122.2163 -119.4548 -177.3392 -56.6114 61.7175 24.1265 147.7647 -97.5707 -162.1284 -38.4902 76.1743 12.1114 -160.6968 -4.1105 -178.8439 -37.3317 83.0143 -161.3309 -161.266 -40.92 74.7347 82.8917 -156.7623 -41.1076 -63.5139 27.5118 -93.9228 150.8943 -157.3616 81.2037 -33.9792 178.959 59.5318 -62.3215 78.2117 -41.2155 -163.0688 -79.6754 160.8974 39.0441 -0.6823 -120.1095 118.0372 176.1531 -63.7977 56.5719 -79.6368 40.4124 160.782 78.594 -161.3569 -40.9873 -0.2372 119.812 -119.8184 -177.005 62.752 -57.5157 78.4658 -41.7772 -162.0449 -79.7462 160.0108 39.7431 -0.9745 -121.2175 118.5148 0.6893 120.6737 -119.5142 -119.7445 0.2399 120.0521 121.1899 -118.8257 0.9864 0.763 117.6797 -115.8348 118.2591 -124.8243 1.6612 -116.3478 0.5689 127.0544 80.6891 -172.3566 -43.5388 0.2654 116.6898 -116.5004 -117.605 -1.1807 125.6291 115.9977 -127.578 -0.7682 1.0909 -115.0899 118.1316 119.2587 3.0779 -123.7006 -114.3253 129.494 2.7154 -0.6856 -91.1374 89.6651 -118.5845 150.9637 -28.2338 116.9469 26.4951 -152.7024 -0.2388 89.688 -91.1113 -117.6639 -27.7371 151.4636 117.3157 -152.7575 26.4432 -0.9811 -90.8592 89.9419 116.1878 26.3098 -152.8892 -118.8295 151.2924 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 300 A 286 A 286 476 300 51 51 886.2979205223 32 32 32 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 Grimme-D2 -0.0266435277 0.000000 1.331624 0.000000 1.336827 2.397404 0.000000 2.400100 1.533169 2.789434 0.000000 2.173056 1.092307 3.406403 2.272110 0.000000 2.370674 2.932175 1.332554 2.575076 4.024275 0.000000 2.763672 2.582630 2.416757 1.539136 3.564352 1.535102 0.000000 3.265657 2.171916 3.776499 1.101097 2.525374 3.491081 2.170079 0.000000 2.944261 2.138272 3.256578 1.108071 2.691093 3.017662 2.178325 1.763904 0.000000 3.385665 4.026051 2.165913 3.551555 5.117762 1.095056 2.278229 4.407174 3.880132 0.000000 3.213022 3.024623 2.939319 2.175713 3.914290 2.146825 1.107851 2.388707 3.064020 2.736602 0.000000 3.759773 3.494956 3.293367 2.168646 4.406058 2.179623 1.101202 2.596555 2.391031 2.521294 1.763673 0.000000 2.130355 2.999864 2.936831 4.415423 3.169252 4.233193 4.856156 5.123702 4.890809 5.068092 5.133470 5.876374 0.000000 2.846841 3.056562 4.025945 4.588558 2.672291 5.197371 5.421911 5.042378 5.044676 6.169108 5.643973 6.435806 1.547167 0.000000 2.725506 3.737218 3.091163 4.951856 4.106892 4.249552 4.998213 5.597388 5.650393 4.916844 4.999285 6.060311 1.551069 2.672787 0.000000 2.735549 3.726438 3.149014 4.966989 3.998258 4.447560 5.337874 5.857531 5.150645 5.124131 5.861677 6.215636 1.550246 2.673220 2.654894 0.000000 4.184835 4.583401 5.191731 6.115200 4.206839 6.451899 6.852438 6.580669 6.554747 7.334617 7.031421 7.885017 2.287778 1.547479 3.057790 3.075455 0.000000 2.959068 2.884971 4.185507 4.332439 2.404825 5.199636 5.182839 4.579146 4.961654 6.210625 5.221095 6.219396 2.212286 1.100266 2.864000 3.588946 2.242069 0.000000 2.987296 2.908545 4.231744 4.377079 2.317237 5.330808 5.433010 4.826681 4.616360 6.340970 5.817672 6.350319 2.210154 1.100157 3.591884 2.850519 2.235001 1.780840 0.000000 4.111355 5.065132 4.518664 6.395160 5.234293 5.729174 6.532593 7.018354 7.028374 6.333039 6.541665 7.589554 2.303259 3.088867 1.547572 3.057322 2.638088 3.474416 4.074781 0.000000 2.854013 3.591656 3.329675 4.717159 3.915344 4.287831 4.759882 5.180164 5.573173 5.012080 4.544641 5.850892 2.214909 2.859321 1.100759 3.577483 3.431050 2.610782 3.820292 2.245630 0.000000 2.743603 3.952963 2.595902 4.929369 4.568758 3.659189 4.668955 5.689718 5.594621 4.137800 4.707817 5.661640 2.192490 3.572094 1.102731 2.803345 4.047581 3.801056 4.346869 2.249135 1.782306 0.000000 4.118668 5.051709 4.566475 6.403562 5.139241 5.884606 6.796279 7.219758 6.633455 6.505871 7.218581 7.716226 2.301577 3.074446 3.069432 1.548258 2.641044 4.073438 3.428113 2.632370 4.066944 3.426189 0.000000 2.857460 3.564448 3.399024 4.729815 3.723729 4.585881 5.314290 5.622419 4.695693 5.320708 5.988749 6.093886 2.217314 2.872030 3.576735 1.100651 3.475224 3.817143 2.610000 4.065049 4.363391 3.747312 2.247715 0.000000 2.763942 3.956419 2.671393 4.959271 4.489029 3.886492 5.024238 5.945799 5.138705 4.378660 5.576878 5.833353 2.188517 3.572534 2.791770 1.102457 4.053216 4.342830 3.799891 3.389636 3.746338 2.490064 2.249839 1.781018 0.000000 3.842022 4.656860 4.513465 6.113378 4.633035 5.828765 6.548041 6.769839 6.561675 6.559026 6.761608 7.573769 1.714466 2.188938 2.172822 2.174438 1.525138 2.981334 2.961744 1.521275 2.963083 2.953000 1.521333 2.978421 2.940903 0.000000 4.891510 5.199887 5.920341 6.721239 4.709308 7.190995 7.581047 7.193004 7.015514 8.080774 7.862520 8.565693 3.072748 2.245320 4.053528 3.446770 1.100110 3.039566 2.460839 3.538386 4.506703 4.968956 2.808979 3.604234 4.511680 2.211827 0.000000 4.865185 5.186004 5.873441 6.692026 4.758599 7.082218 7.398043 7.033187 7.247957 7.964330 7.426416 8.463987 3.056885 2.243103 3.401267 4.059620 1.100108 2.467913 3.042219 2.793637 3.522127 4.474655 3.543735 4.542656 4.956092 2.208899 1.782531 0.000000 4.820574 5.611821 5.333223 6.953311 5.659819 6.480564 7.135602 7.442535 7.673393 7.115914 7.007686 8.220750 3.079009 3.448876 2.244270 4.050958 2.799626 3.590492 4.512614 1.099958 2.474293 3.057552 3.534415 4.990496 4.462814 2.207220 3.729642 2.506100 0.000000 4.767264 5.862759 4.915358 7.110119 6.145657 6.087273 7.081307 7.816340 7.702936 6.531081 7.117055 8.093464 3.077900 4.076980 2.244868 3.405783 3.546101 4.543525 4.987126 1.099878 3.045890 2.478853 2.793766 4.483402 3.489507 2.210681 4.297731 3.740271 1.784247 0.000000 4.812814 5.571250 5.384324 6.944911 5.494051 6.688328 7.507856 7.728488 7.055526 7.352308 8.000368 8.391993 3.063134 3.410689 4.053249 2.242338 2.795291 4.484394 3.508578 3.537061 4.976554 4.492390 1.099996 2.473969 3.064573 2.204891 2.515073 3.739709 4.289553 3.739738 0.000000 4.792286 5.867973 4.980181 7.135743 6.081235 6.250469 7.335506 8.006375 7.379627 6.715714 7.736691 8.228843 3.090468 4.072341 3.441506 2.247887 3.545278 5.002084 4.504850 2.802380 4.512445 3.557946 1.099902 3.040622 2.483750 2.212854 3.741239 4.298967 3.735435 2.514760 1.784168 0.000000 C14H18 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;16;17;20;23;26;5;8;9;10;11;12;18;19;21;22;24;25;27;28;29;30;31;32/rA:32nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1948,.0863,.1333;1.8186,1.2608,.0651;1.7413,-1.1288,.2424;3.3466,1.1493,.1234;1.3607,2.2523,.0798;3.0357,-1.4068,.0909;3.9028,-.2122,-.3305;3.8057,1.9508,-.4759;3.6459,1.3435,1.1725;3.4937,-2.3991,.1599;3.9809,-.2296,-1.4354;4.9304,-.3302,.0474;-.9326,.0657,.0216;-1.213,1.5759,-.1636;-.9723,-.8696,-1.2151;-1.127,-.5768,1.419;-2.7504,1.4263,-.2574;-.7349,1.9808,-1.0681;-.8711,2.169,.6975;-2.5136,-.9968,-1.2732;-.5113,-.4066,-2.101;-.4333,-1.8077,-1.0022;-2.6696,-.6789,1.3352;-.7454,.0608,2.231;-.596,-1.5417,1.4683;-2.6385,-.0823,-.0639;-3.3156,1.9357,.5372;-3.1833,1.715,-1.2267;-2.9772,-.5916,-2.1847;-2.9014,-2.0128,-1.1086;-3.2109,-.0592,2.0653;-3.0731,-1.7011,1.3809; 1.5630052 0.4305523 0.4010784 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 299 299 299 299 299 MxSgAt= 32 MxSgA2= 32. 1 open 1 1 1 -543.479752603554 -543.479752604 1 0.2658 5.369191256970e+02 -3.028183678901e+03 1.061513523606e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3221225472 LenX= 3221037690 LenY= 3220947249 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 0.2658 Using compressed storage, NAtomX= 32. Will process 33 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=11111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 9614 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 3221225472 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=T KAlg= 0 I1Cent= 0 FoldK=F IRaf= 1 NMat= 96 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 96 NMatS0= 96 NMatT0= 0 NMatD0= 96 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 99 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 96 vectors produced by pass 0 Test12= 2.42D-14 1.01D-09 XBig12= 2.54D+02 7.57D+00. AX will form 96 AO Fock derivatives at one time. 96 vectors produced by pass 1 Test12= 2.42D-14 1.01D-09 XBig12= 2.79D+01 7.53D-01. 96 vectors produced by pass 2 Test12= 2.42D-14 1.01D-09 XBig12= 8.61D-01 2.10D-01. 96 vectors produced by pass 3 Test12= 2.42D-14 1.01D-09 XBig12= 2.17D-02 1.92D-02. 96 vectors produced by pass 4 Test12= 2.42D-14 1.01D-09 XBig12= 2.71D-04 1.93D-03. 96 vectors produced by pass 5 Test12= 2.42D-14 1.01D-09 XBig12= 3.51D-06 2.26D-04. 96 vectors produced by pass 6 Test12= 2.42D-14 1.01D-09 XBig12= 3.12D-08 1.45D-05. 57 vectors produced by pass 7 Test12= 2.42D-14 1.01D-09 XBig12= 2.39D-10 1.15D-06. 11 vectors produced by pass 8 Test12= 2.42D-14 1.01D-09 XBig12= 1.78D-12 9.79D-08. 3 vectors produced by pass 9 Test12= 2.42D-14 1.01D-09 XBig12= 1.52D-14 1.03D-08. InvSVY: IOpt=1 It= 1 EMax= 8.56D-15 Solved reduced A of dimension 743 with 99 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 169.72 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 246.631 -19.021 149.720 1.867 -1.114 112.803 226.222 -19.823 182.154 1.923 -2.620 132.655 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 C C C C H C C H H H H H C C C C C H H C H H C H H C H H H H H H 13 13 13 13 1 13 13 1 1 1 1 1 13 13 13 13 13 1 1 13 1 1 13 1 1 13 1 1 1 1 1 1 0.14140 -0.04732 -0.26811 0.02835 0.00547 0.00878 -0.02799 -0.00072 -0.00234 -0.00415 0.00244 0.00001 0.00801 0.03993 0.05537 0.05825 -0.01487 0.00025 0.00021 -0.01477 0.00002 0.00012 -0.01471 0.00002 0.00001 0.08844 0.00083 0.00080 0.00071 0.00061 0.00067 0.00062 79.48178 -26.59581 -150.70275 15.93289 12.22399 4.93256 -15.73408 -1.61740 -5.22124 -9.28541 5.44998 0.03245 4.50060 22.44575 31.12267 32.73934 -8.35845 0.56924 0.46879 -8.29982 0.04429 0.27683 -8.27112 0.03655 0.02339 49.70946 1.86566 1.79276 1.59464 1.36222 1.50145 1.38875 28.36108 -9.49005 -53.77449 5.68525 4.36182 1.76006 -5.61431 -0.57713 -1.86307 -3.31326 1.94469 0.01158 1.60593 8.00920 11.10534 11.68221 -2.98250 0.20312 0.16727 -2.96158 0.01580 0.09878 -2.95134 0.01304 0.00835 17.73757 0.66571 0.63970 0.56901 0.48607 0.53575 0.49554 26.51227 -8.87141 -50.26903 5.31464 4.07748 1.64533 -5.24832 -0.53951 -1.74162 -3.09728 1.81792 0.01082 1.50124 7.48710 10.38141 10.92067 -2.78808 0.18988 0.15637 -2.76852 0.01477 0.09234 -2.75895 0.01219 0.00780 16.58129 0.62232 0.59800 0.53192 0.45439 0.50083 0.46324 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 0.287322 0.052223 -0.041004 0.025627 0.002941 -0.089105 -0.000496 -0.000100 -0.000013 -0.010642 0.000874 -0.002475 -0.066939 0.000137 0.001655 -0.001430 -0.000710 -0.000938 -0.001067 -0.002474 -0.000194 -0.004664 -0.001694 -0.000637 -0.006410 0.287242 -0.001154 -0.001221 -0.001721 -0.002169 -0.001526 -0.002073 -0.226368 0.044129 -0.049870 -0.012239 -0.002467 -0.029126 -0.016500 -0.000091 -0.001606 0.006605 0.001667 0.001448 0.031889 0.015658 -0.010395 -0.015677 0.000895 0.000141 0.000768 0.000954 -0.001622 0.006178 0.000242 -0.002115 0.005353 -0.143249 0.002942 0.002128 -0.001385 0.002302 -0.002040 0.000886 -0.060954 -0.096352 0.090874 -0.013388 -0.000474 0.118230 0.016996 0.000190 0.001619 0.004036 -0.002541 0.001028 0.035050 -0.015794 0.008740 0.017107 -0.000184 0.000797 0.000299 0.001519 0.001816 -0.001514 0.001451 0.002752 0.001057 -0.143993 -0.001789 -0.000908 0.003106 -0.000133 0.003567 0.001188 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 -0.031984 -0.006319 -0.329639 -0.001961 0.007631 0.004907 -0.028036 0.000276 -0.000168 0.000851 -0.001392 -0.000042 -0.008753 0.015283 -0.001918 0.002481 -0.003493 0.001416 0.001342 0.002407 0.000984 -0.001285 0.002005 0.001655 0.000628 0.033192 -0.001309 -0.001027 0.000646 0.000444 0.000614 0.000730 -0.012208 -0.015364 0.085413 0.002929 -0.000335 0.038337 0.011366 -0.000250 0.000631 0.002571 0.000922 -0.001586 -0.004878 -0.000172 -0.013331 0.011012 0.000315 -0.001291 0.000822 0.002339 -0.002549 -0.007006 -0.003159 0.001813 0.006319 0.021592 -0.000097 0.000431 0.000333 0.000121 -0.001078 -0.000583 0.007668 -0.018320 0.087082 0.000956 -0.000796 0.029645 0.012948 -0.001189 -0.000113 -0.000848 0.000806 0.001029 -0.000254 -0.001570 0.014793 -0.009655 -0.000361 -0.001510 0.001679 0.001547 0.001102 0.001447 -0.001073 -0.000113 -0.002886 0.001765 0.001006 -0.002183 0.001893 0.002736 -0.000533 -0.002904 0.0608 0.9973 -0.0412 0.0386 0.0389 0.9985 0.9974 -0.0623 -0.0361 -0.2286 -0.0611 0.2898 -30.681 -8.203 38.883 -10.948 -2.927 13.875 -10.234 -2.736 12.97 1 C 13 0.1046 0.1296 0.986 0.413 0.8963 -0.1616 0.9047 -0.4241 -0.0403 -0.1004 0.0445 0.0559 -13.471 5.974 7.497 -4.807 2.132 2.675 -4.494 1.993 2.501 2 C 13 0.6819 0.6913 -0.2388 0.1693 0.1685 0.9711 0.7116 -0.7026 -0.0021 -0.4051 0.1209 0.2842 -54.361 16.22 38.141 -19.397 5.788 13.61 -18.133 5.41 12.723 3 C 13 -0.0879 -0.4984 0.8625 0.0062 0.8655 0.5008 0.9961 -0.0493 0.073 -0.0142 -0.0117 0.0259 -1.911 -1.57 3.481 -0.682 -0.56 1.242 -0.637 -0.524 1.161 4 C 13 -0.5737 0.8167 0.0618 0.1031 -0.0029 0.9947 0.8126 0.577 -0.0825 -0.0079 -5.0E-4 0.0084 -4.208 -0.27 4.478 -1.502 -0.096 1.598 -1.404 -0.09 1.494 5 H 1 0.9842 0.0063 -0.177 -0.0388 0.9828 -0.1807 0.1728 0.1847 0.9675 -0.096 -0.0348 0.1307 -12.878 -4.666 17.544 -4.595 -1.665 6.26 -4.296 -1.556 5.852 6 C 13 0.5832 0.7636 -0.2771 -0.5944 0.6336 0.4952 0.5537 -0.1241 0.8234 -0.0426 0.0199 0.0227 -5.718 2.673 3.045 -2.04 0.954 1.086 -1.907 0.892 1.016 7 C 13 -0.041 0.751 0.6591 0.9677 -0.1344 0.2133 -0.2487 -0.6465 0.7212 -0.0011 -2.0E-4 0.0013 -0.613 -0.103 0.716 -0.219 -0.037 0.255 -0.204 -0.034 0.239 8 H 1 0.098 0.9951 0.0155 0.9404 -0.0875 -0.3286 0.3256 -0.0467 0.9443 -0.0016 -2.0E-4 0.0018 -0.866 -0.116 0.983 -0.309 -0.042 0.351 -0.289 -0.039 0.328 9 H 1 0.9839 -0.0553 -0.1699 0.1786 0.2781 0.9438 0.005 0.959 -0.2835 -0.0111 0.0043 0.0069 -5.94 2.28 3.66 -2.12 0.814 1.306 -1.981 0.76 1.221 10 H 1 -0.3029 -0.2463 0.9207 0.7435 0.5433 0.3899 -0.5962 0.8026 0.0186 -0.0031 3.0E-4 0.0027 -1.633 0.181 1.451 -0.583 0.065 0.518 -0.545 0.06 0.484 11 H 1 0.9247 -0.0756 0.3731 0.3048 0.7341 -0.6068 -0.228 0.6748 0.7019 -0.0031 6.0E-4 0.0025 -1.66 0.309 1.351 -0.592 0.11 0.482 -0.554 0.103 0.451 12 H 1 0.9951 0.0874 0.0473 -0.0842 0.9943 -0.0657 -0.0528 0.0614 0.9967 -0.0679 0.0326 0.0353 -9.117 4.381 4.736 -3.253 1.563 1.69 -3.041 1.461 1.58 13 C 13 -0.0676 0.0822 0.9943 0.8502 -0.5169 0.1005 0.5222 0.8521 -0.0349 -0.0159 -0.0092 0.0251 -2.135 -1.231 3.366 -0.762 -0.439 1.201 -0.712 -0.411 1.123 14 C 13 -0.2643 0.7996 -0.5392 0.8255 0.4767 0.3023 -0.4987 0.3652 0.7861 -0.0197 -0.0043 0.0241 -2.648 -0.582 3.23 -0.945 -0.208 1.153 -0.883 -0.194 1.077 15 C 13 -0.3109 0.8934 0.3243 0.873 0.4034 -0.2743 0.3759 -0.1978 0.9053 -0.02 -0.0037 0.0238 -2.69 -0.502 3.192 -0.96 -0.179 1.139 -0.897 -0.168 1.065 16 C 13 0.7825 0.6226 -0.0067 -0.0702 0.099 0.9926 -0.6186 0.7763 -0.1212 -0.0035 -2.0E-4 0.0037 -0.469 -0.033 0.501 -0.167 -0.012 0.179 -0.156 -0.011 0.167 17 C 13 0.8631 -0.4856 0.1391 0.2477 0.6468 0.7213 -0.4402 -0.5881 0.6785 -0.0019 -0.001 0.0029 -1.036 -0.534 1.57 -0.37 -0.19 0.56 -0.346 -0.178 0.524 18 H 1 0.8675 -0.4943 0.0561 -0.3326 -0.4923 0.8044 0.3699 0.7165 0.5915 -0.0018 -0.0011 0.0028 -0.949 -0.57 1.519 -0.338 -0.203 0.542 -0.316 -0.19 0.507 19 H 1 0.8977 -0.341 -0.279 0.0609 0.7232 -0.6879 0.4364 0.6005 0.67 -0.0041 -3.0E-4 0.0044 -0.552 -0.042 0.594 -0.197 -0.015 0.212 -0.184 -0.014 0.198 20 C 13 -0.5929 0.6703 -0.4463 0.5928 0.7384 0.3216 -0.5451 0.0738 0.8351 -0.0032 -4.0E-4 0.0036 -1.721 -0.188 1.909 -0.614 -0.067 0.681 -0.574 -0.063 0.637 21 H 1 0.7813 0.0061 0.6241 -0.5336 -0.5123 0.673 -0.3239 0.8588 0.397 -0.0103 0.0029 0.0073 -5.48 1.568 3.912 -1.955 0.56 1.396 -1.828 0.523 1.305 22 H 1 0.8513 -0.2921 0.4359 0.0195 0.8478 0.5299 -0.5244 -0.4426 0.7274 -0.004 -4.0E-4 0.0044 -0.537 -0.051 0.588 -0.191 -0.018 0.21 -0.179 -0.017 0.196 23 C 13 -0.5933 0.7824 0.1893 0.6831 0.6138 -0.3959 0.4259 0.1056 0.8986 -0.0034 -2.0E-4 0.0036 -1.813 -0.107 1.92 -0.647 -0.038 0.685 -0.605 -0.036 0.64 24 H 1 0.8519 -0.128 -0.5078 0.4679 0.6215 0.6283 -0.2352 0.7729 -0.5894 -0.0103 0.0029 0.0074 -5.48 1.552 3.929 -1.955 0.554 1.402 -1.828 0.518 1.31 25 H 1 -0.0683 0.9869 -0.1464 -0.0603 0.1424 0.988 0.9958 0.0763 0.0498 -0.1458 -0.1451 0.2909 -19.566 -19.465 39.031 -6.982 -6.946 13.927 -6.527 -6.493 13.019 26 C 13 -0.2832 -0.2606 0.923 0.9206 0.1961 0.3378 -0.269 0.9453 0.1843 -0.002 -0.0015 0.0035 -1.09 -0.783 1.873 -0.389 -0.279 0.668 -0.364 -0.261 0.625 27 H 1 0.1514 0.4855 0.861 0.9619 0.1282 -0.2414 -0.2276 0.8648 -0.4476 -0.0021 -0.0015 0.0035 -1.101 -0.782 1.883 -0.393 -0.279 0.672 -0.367 -0.261 0.628 28 H 1 -0.5912 0.7735 -0.2286 0.8008 0.5291 -0.2807 0.0961 0.349 0.9322 -0.0024 -0.0014 0.0038 -1.301 -0.753 2.054 -0.464 -0.269 0.733 -0.434 -0.251 0.685 29 H 1 0.925 -0.2577 0.2793 -0.3736 -0.482 0.7926 0.0697 0.8374 0.5421 -0.0023 -0.0019 0.0041 -1.204 -0.989 2.193 -0.429 -0.353 0.782 -0.401 -0.33 0.731 30 H 1 -0.5765 0.8165 -0.0309 0.7904 0.5669 0.2322 -0.2071 -0.1094 0.9722 -0.0025 -0.0014 0.0039 -1.309 -0.748 2.058 -0.467 -0.267 0.734 -0.437 -0.25 0.686 31 H 1 (Enter /u/local/apps/gaussian/G16_C02/g16_avx2/l716.exe) PT6714.800S Mon Jun 30 05:10:39 2025 -10.32744 -10.30903 -10.30622 -10.30439 -10.30342 -10.30301 -10.30196 -10.30141 -10.30136 -10.29763 -10.29595 -10.29181 -10.29101 -10.26641 -1.00576 -0.92449 -0.85985 -0.85687 -0.82605 -0.81302 -0.79305 -0.70414 -0.69765 -0.69014 -0.67576 -0.66600 -0.58334 -0.58111 -0.56686 -0.55015 -0.54133 -0.52070 -0.51643 -0.51459 -0.50998 -0.50183 -0.49967 -0.47159 -0.47151 -0.44092 -0.43876 -0.42958 -0.42313 -0.41947 -0.41536 -0.38363 -0.37792 -0.37698 -0.32457 -0.27226 -0.24288 0.00638 0.05254 0.12555 0.14057 0.14319 0.14724 0.15965 0.17125 0.17835 0.18659 0.19249 0.19511 0.19613 0.20879 0.21573 0.21787 0.22341 0.23291 0.24599 0.25653 0.26078 0.26795 0.28365 0.30023 0.30643 0.31025 0.31153 0.31431 0.32107 0.33037 0.37233 0.38845 0.42173 0.43860 0.44015 0.44536 0.45410 0.46169 0.46420 0.49715 0.50768 0.52825 0.54735 0.55718 0.56567 0.56764 0.57848 0.58765 0.61719 0.62322 0.63110 0.63322 0.64249 0.65137 0.65582 0.66469 0.66864 0.67713 0.68581 0.69119 0.70178 0.71057 0.71472 0.73014 0.73181 0.73270 0.74765 0.75011 0.75439 0.76054 0.76099 0.76335 0.77022 0.77893 0.78211 0.78484 0.78653 0.79256 0.79824 0.80467 0.81141 0.82171 0.83033 0.84176 0.85202 0.85562 0.85923 0.86164 0.89099 0.89539 0.91062 0.92901 0.93970 0.95701 0.98233 0.99824 1.00877 1.05448 1.10780 1.12786 1.13851 1.16024 1.16872 1.19237 1.23145 1.26827 1.27729 1.28747 1.29791 1.30525 1.31659 1.35756 1.36633 1.38125 1.41490 1.42909 1.44432 1.53110 1.55506 1.56169 1.56789 1.57681 1.62057 1.65356 1.66499 1.68190 1.68283 1.70336 1.70779 1.70881 1.74735 1.76956 1.78643 1.80453 1.80595 1.81222 1.82058 1.83324 1.83600 1.84213 1.84810 1.85702 1.86090 1.86993 1.89134 1.89294 1.89568 1.90768 1.90924 1.91466 1.92106 1.93058 1.93274 1.94213 1.95956 1.96380 1.98040 1.98594 1.99372 2.00423 2.01285 2.01898 2.03500 2.06059 2.07836 2.08433 2.09101 2.11989 2.12838 2.14419 2.14671 2.16077 2.16569 2.18796 2.19962 2.20078 2.20952 2.24086 2.24634 2.28620 2.29073 2.31558 2.35107 2.37674 2.38343 2.39451 2.40030 2.41403 2.41957 2.42719 2.43237 2.45667 2.46813 2.47866 2.49751 2.51506 2.51900 2.53559 2.54711 2.57384 2.64161 2.64764 2.65525 2.68483 2.69860 2.70116 2.77030 2.78681 2.80608 2.81992 2.83137 2.86359 2.90058 2.92082 2.92190 2.93180 2.94439 2.95374 2.96132 2.97215 2.97827 2.99935 3.01929 3.02449 3.03065 3.05223 3.09015 3.10474 3.13182 3.15362 3.17482 3.19879 3.22608 3.23331 3.46165 -10.32380 -10.30985 -10.30563 -10.30468 -10.30278 -10.30234 -10.30170 -10.30164 -10.29943 -10.29730 -10.29540 -10.29168 -10.29074 -10.27290 -1.00128 -0.92498 -0.85883 -0.85583 -0.82368 -0.81721 -0.79153 -0.70389 -0.69705 -0.68659 -0.67718 -0.66651 -0.58255 -0.58035 -0.56465 -0.55104 -0.54010 -0.51936 -0.51586 -0.51325 -0.50912 -0.50168 -0.50135 -0.47123 -0.47112 -0.44184 -0.44078 -0.42885 -0.42286 -0.41981 -0.41524 -0.38461 -0.37667 -0.37514 -0.31697 -0.27381 -0.26422 0.00531 0.05182 0.12576 0.14096 0.14512 0.14691 0.16285 0.17200 0.17875 0.18736 0.19278 0.19468 0.19676 0.21116 0.21471 0.21791 0.22387 0.23237 0.24606 0.25618 0.26055 0.26790 0.28406 0.30113 0.30743 0.31082 0.31228 0.31480 0.32081 0.33024 0.37185 0.38927 0.42188 0.43827 0.44035 0.44491 0.45468 0.46184 0.46276 0.49788 0.50809 0.52753 0.54808 0.55986 0.56623 0.56740 0.57824 0.58590 0.61674 0.62306 0.62877 0.63254 0.64426 0.65218 0.65580 0.66609 0.66911 0.67847 0.68581 0.69320 0.70189 0.70905 0.71258 0.73023 0.73182 0.73270 0.74715 0.74978 0.75456 0.76068 0.76092 0.76344 0.76945 0.77888 0.78231 0.78522 0.78658 0.79207 0.79825 0.80390 0.81160 0.82205 0.82925 0.84187 0.85266 0.85683 0.86042 0.86291 0.89006 0.89560 0.90951 0.92883 0.93707 0.95708 0.98288 0.99873 1.00919 1.05388 1.10805 1.12668 1.14044 1.16048 1.16928 1.19314 1.23425 1.27157 1.28000 1.28781 1.29940 1.30536 1.31655 1.35760 1.36634 1.38180 1.41590 1.42931 1.44461 1.52484 1.55556 1.56272 1.56851 1.57751 1.62059 1.65512 1.66649 1.68225 1.68327 1.70369 1.70768 1.71064 1.74669 1.76837 1.78621 1.80446 1.80643 1.81148 1.82013 1.83236 1.83655 1.84203 1.84782 1.85681 1.86098 1.86990 1.89135 1.89330 1.89599 1.90792 1.90959 1.91263 1.92121 1.93017 1.93291 1.94216 1.95960 1.96182 1.98038 1.98604 1.99416 2.00432 2.01156 2.01864 2.03530 2.06197 2.07850 2.08398 2.08984 2.12113 2.12866 2.14440 2.14754 2.16311 2.16485 2.19063 2.19992 2.20247 2.21088 2.23963 2.24509 2.28680 2.29107 2.31520 2.35070 2.37727 2.38454 2.39329 2.39969 2.41400 2.41946 2.42793 2.43367 2.45570 2.46847 2.47819 2.49809 2.51404 2.51860 2.53576 2.54623 2.57526 2.64080 2.64766 2.65573 2.68447 2.69936 2.70189 2.77090 2.78541 2.80553 2.82096 2.83229 2.86443 2.89938 2.92165 2.92273 2.93155 2.94403 2.95423 2.96158 2.97170 2.97840 3.00174 3.01960 3.02491 3.03148 3.05313 3.08956 3.10448 3.13248 3.15388 3.16979 3.19943 3.22664 3.23382 3.45879 1-A. -7.09903117e-01 5.26916141e-01 -1.42108130e-01 2.46630811e+02 -1.90213923e+01 1.49719578e+02 1.86685368e+00 -1.11413773e+00 1.12802962e+02 -901.3378 -11.9725 -2.0718 0.0004 0.0007 0.0009 7.6126 15.6035 50.0496 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -901.3377 15.5864 49.9299 79.7465 131.2212 156.1710 171.3560 203.9996 214.0427 250.5561 304.6151 307.7192 364.6908 369.1231 464.7625 559.8910 562.1502 580.2477 581.6852 611.1724 634.5912 746.0777 753.5818 754.7741 758.8893 772.7661 828.8943 852.8703 867.7084 907.5252 911.1098 938.6930 939.9616 941.3076 983.5907 986.4155 999.2818 1025.5099 1045.4627 1060.8522 1063.5131 1074.2302 1095.4046 1169.8220 1197.2373 1198.6922 1206.8371 1226.7448 1250.8239 1251.2958 1264.6469 1267.6874 1275.6150 1282.8017 1289.6210 1303.6986 1319.4452 1327.0096 1333.2498 1350.1820 1350.8232 1385.4119 1437.4504 1440.3018 1447.5248 1452.5796 1462.0245 1468.0349 1468.3031 1482.8172 1655.4503 1762.3732 3009.5179 3013.4547 3052.3423 3056.4537 3068.4206 3074.6787 3075.2533 3076.5366 3104.9917 3108.6002 3130.0449 3132.3318 3136.2460 3144.5160 3147.8865 3150.5739 3177.5118 3209.6935 11.1085 3.3809 3.3556 1.7608 3.6183 3.3157 3.4629 3.3975 2.1308 2.3321 1.9868 1.8905 2.5417 2.6451 4.5494 3.4433 2.6503 3.1314 5.6263 5.1677 2.7462 1.1552 2.1989 1.1978 1.3826 1.8057 1.2935 2.8747 2.2926 3.4335 1.5956 2.3216 2.0195 2.0234 2.4157 2.3816 2.6374 1.9929 2.3382 1.4472 1.4760 1.0752 2.1838 1.1116 1.7384 1.7577 1.4127 1.1540 1.2371 1.2629 1.4678 1.3979 1.4283 1.3011 1.3810 2.1062 1.3989 2.0415 1.5142 2.7650 2.8312 1.5217 1.0873 1.0837 1.0816 1.0873 1.1155 1.1580 1.1582 1.1148 7.8143 9.6913 1.0736 1.0677 1.0606 1.0605 1.0588 1.0621 1.0612 1.0624 1.0924 1.0972 1.1112 1.1119 1.1120 1.1099 1.1101 1.1100 1.0927 1.0919 5.3172 0.0005 0.0049 0.0066 0.0367 0.0476 0.0599 0.0833 0.0575 0.0863 0.1086 0.1055 0.1992 0.2123 0.5790 0.6360 0.4935 0.6212 1.1216 1.1373 0.6516 0.3789 0.7357 0.4020 0.4691 0.6353 0.5236 1.2320 1.0170 1.6661 0.7804 1.2052 1.0513 1.0563 1.3770 1.3653 1.5517 1.2349 1.5057 0.9596 0.9836 0.7311 1.5439 0.8963 1.4682 1.4881 1.2122 1.0232 1.1404 1.1651 1.3831 1.3236 1.3694 1.2615 1.3532 2.1092 1.4349 2.1181 1.5859 2.9698 3.0438 1.7208 1.3237 1.3245 1.3352 1.3517 1.4049 1.4704 1.4711 1.4442 12.6174 17.7348 5.7293 5.7126 5.8221 5.8368 5.8732 5.9157 5.9128 5.9248 6.2053 6.2469 6.4144 6.4276 6.4444 6.4661 6.4813 6.4914 6.4999 6.6279 328.7145 0.7297 1.2364 0.0276 1.1781 14.6744 15.5541 4.7022 0.6892 1.8526 1.0526 0.6452 1.9423 13.8365 109.6675 1.8974 106.3602 33.2598 17.5273 2.2958 27.8719 3.9993 7.4525 5.8888 3.0711 35.5845 9.0759 18.1136 69.4649 25.2554 4.9112 4.4075 0.7232 2.1554 2.3625 1.9372 4.2189 0.9527 1.3783 2.6132 1.0640 0.3556 1.4106 6.2387 0.5384 0.9184 1.3953 0.3705 4.7023 0.2964 10.0527 3.6610 26.8482 3.8403 0.8591 0.9656 16.5738 0.0266 33.9484 1.0945 1.2327 14.7201 0.1621 0.5238 2.5541 28.0812 2.4312 5.4578 5.1482 5.4548 15.7939 2.3799 38.5998 48.4602 17.3533 21.4347 25.4508 45.3180 34.8252 90.0205 31.1775 17.4877 2.3988 0.8616 0.2556 3.6762 26.2970 33.6993 55.2634 8.9427 -0.48 0.12 -0.03 0.08 -0.08 0.01 0.03 -0.06 0.02 -0.00 0.01 0.02 0.07 -0.05 -0.15 0.02 0.03 -0.01 0.00 -0.00 -0.01 0.04 0.00 0.04 0.05 -0.01 0.01 -0.00 0.03 0.06 -0.00 0.02 -0.01 0.01 -0.02 -0.03 0.71 0.04 0.04 -0.00 -0.06 0.01 -0.02 0.03 0.04 -0.02 0.02 -0.05 0.02 -0.06 0.01 -0.04 -0.03 0.00 -0.03 -0.03 -0.00 -0.00 0.03 0.04 -0.06 0.02 0.02 -0.06 -0.01 -0.02 0.00 0.02 -0.05 -0.06 0.02 -0.03 -0.06 -0.01 0.01 -0.35 -0.04 -0.02 0.05 -0.03 0.01 0.05 -0.03 0.00 0.04 0.02 0.02 0.03 0.02 0.03 0.04 0.02 -0.02 0.04 0.01 -0.03 0.00 0.02 0.01 0.00 0.01 -0.18 -0.00 0.03 0.18 0.01 0.01 -0.19 0.01 0.01 -0.32 -0.01 0.01 0.21 -0.01 -0.06 0.01 -0.00 -0.08 -0.32 0.02 0.17 -0.22 -0.01 0.01 0.35 -0.02 -0.23 0.02 -0.00 -0.01 0.02 -0.00 0.01 0.01 -0.01 0.01 0.07 0.02 0.07 -0.04 -0.00 -0.06 -0.03 -0.02 0.01 0.13 -0.06 0.03 0.05 0.03 -0.01 0.06 0.02 0.10 -0.08 0.05 0.10 -0.01 -0.01 0.04 -0.07 0.00 -0.12 -0.06 -0.05 -0.08 0.01 0.04 -0.04 -0.05 0.00 -0.01 -0.00 0.02 -0.07 0.20 -0.07 0.10 0.18 0.05 0.19 -0.06 -0.01 0.09 -0.19 -0.04 -0.22 -0.01 0.05 -0.15 -0.15 0.00 -0.01 -0.17 0.00 -0.01 -0.12 0.00 -0.01 -0.12 -0.01 0.01 0.11 -0.01 -0.01 -0.22 0.02 0.00 0.06 0.09 0.01 0.22 0.07 0.01 0.16 -0.17 0.04 0.15 0.01 -0.00 0.09 0.31 -0.00 0.24 0.02 0.02 0.42 -0.01 -0.00 -0.08 -0.02 -0.00 -0.06 -0.11 -0.00 -0.07 0.09 -0.00 -0.06 -0.03 0.01 0.08 -0.10 -0.01 -0.11 0.07 -0.00 -0.10 -0.12 0.01 0.04 -0.17 -0.01 -0.11 -0.11 -0.01 -0.11 0.09 -0.00 0.06 0.16 0.00 -0.10 0.10 -0.00 -0.10 -0.02 0.01 0.06 0.05 0.01 0.14 -0.12 0.02 0.13 -0.18 0.03 0.08 -0.12 0.02 0.06 0.14 -0.01 0.10 0.10 -0.01 0.08 -0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.00 0.00 0.02 -0.00 0.00 -0.03 -0.00 -0.00 -0.02 0.00 0.00 0.04 -0.00 -0.01 0.01 -0.01 -0.01 -0.06 0.01 0.04 -0.04 0.00 0.01 0.08 -0.01 -0.04 0.01 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.01 0.01 0.11 -0.01 0.09 -0.08 0.02 -0.11 -0.05 0.01 -0.01 -0.09 0.10 0.14 0.23 -0.14 -0.09 0.23 -0.00 -0.07 0.05 -0.16 0.24 -0.08 0.12 0.13 -0.23 0.00 0.08 0.04 0.16 -0.25 -0.01 -0.10 -0.18 -0.21 0.00 0.00 0.00 -0.13 0.04 -0.22 0.16 -0.09 -0.18 -0.14 -0.21 0.06 0.14 -0.10 0.19 0.14 0.22 0.02 -0.15 0.15 0.14 0.02 -0.09 0.01 -0.03 -0.05 -0.01 0.15 -0.04 0.02 -0.03 0.08 -0.04 -0.08 -0.08 -0.01 0.17 0.06 0.03 0.07 0.12 -0.02 -0.12 0.10 -0.08 -0.02 0.14 -0.06 0.25 0.10 0.06 0.06 0.09 -0.02 0.09 0.20 -0.03 -0.02 -0.11 0.02 0.11 -0.08 0.02 -0.10 -0.11 0.02 -0.11 -0.11 0.01 0.10 0.08 -0.00 0.16 -0.13 0.03 0.16 -0.13 0.03 -0.11 0.07 -0.02 -0.03 -0.16 0.03 -0.21 -0.17 0.02 -0.12 0.07 -0.01 -0.05 -0.16 0.02 -0.22 -0.17 0.01 -0.06 0.07 -0.01 0.14 0.14 -0.00 0.15 0.14 -0.01 -0.04 0.14 -0.03 -0.24 0.12 -0.04 -0.05 0.13 -0.01 -0.25 0.12 -0.02 0.03 0.06 -0.02 0.12 0.02 -0.10 0.07 0.06 -0.09 0.13 -0.02 -0.04 0.14 0.03 -0.22 0.04 -0.03 -0.10 0.16 -0.05 0.08 0.17 -0.05 -0.06 0.08 0.04 -0.04 -0.04 -0.07 -0.23 0.41 -0.07 0.10 0.07 -0.09 0.31 -0.06 0.02 0.08 -0.09 0.01 0.11 0.01 0.02 0.08 -0.13 0.03 0.07 -0.08 -0.02 -0.04 -0.03 0.07 0.17 -0.18 -0.02 0.17 0.01 -0.03 -0.01 0.04 0.03 0.11 0.02 0.03 0.10 -0.12 -0.02 -0.03 -0.21 0.05 0.09 -0.11 0.04 0.14 -0.09 -0.02 -0.03 -0.18 -0.03 -0.10 0.02 -0.04 -0.08 0.06 -0.05 -0.05 0.04 -0.04 -0.02 -0.19 -0.04 -0.05 -0.09 -0.03 -0.05 0.05 0.10 0.06 0.17 0.05 0.07 0.09 0.11 0.13 0.16 -0.06 0.09 0.20 0.07 0.04 0.06 0.01 0.06 0.03 -0.03 -0.12 0.24 -0.00 0.23 0.17 -0.27 0.13 0.01 -0.00 0.11 -0.26 0.03 -0.15 0.12 -0.08 -0.38 -0.05 -0.02 -0.07 -0.06 -0.03 -0.10 -0.10 0.00 -0.07 -0.01 -0.03 -0.07 -0.08 -0.01 0.02 -0.13 -0.07 -0.15 0.01 0.01 -0.15 -0.11 -0.02 0.02 -0.17 0.03 -0.09 -0.08 -0.00 -0.15 -0.02 -0.02 0.01 0.03 -0.04 -0.08 -0.02 -0.03 -0.09 -0.10 -0.02 0.02 -0.00 -0.01 0.07 -0.16 -0.00 0.06 -0.17 -0.05 0.03 -0.08 -0.03 0.05 0.03 -0.02 0.05 -0.02 -0.02 0.04 -0.03 0.17 -0.01 0.03 0.13 -0.12 -0.12 0.14 0.03 0.02 -0.00 0.07 0.10 0.17 -0.30 -0.16 0.03 -0.06 -0.06 -0.02 0.01 0.18 0.01 0.21 -0.10 -0.16 0.13 -0.26 -0.02 -0.19 -0.03 0.02 0.01 -0.08 -0.11 0.04 0.00 -0.09 0.02 0.10 -0.07 0.03 0.02 -0.13 0.06 0.01 -0.14 -0.01 0.10 0.03 -0.00 0.15 -0.09 0.04 0.14 -0.11 0.04 0.01 -0.00 0.00 0.10 -0.24 0.05 -0.06 -0.16 0.16 -0.00 0.00 -0.01 0.09 -0.25 0.03 -0.07 -0.19 -0.11 0.04 0.02 -0.00 0.11 0.05 -0.01 0.14 0.05 -0.01 0.09 0.05 -0.02 -0.10 0.03 -0.03 0.08 0.07 0.00 -0.12 0.05 0.01 -0.01 0.07 0.03 0.03 0.05 0.19 -0.05 0.04 -0.09 0.05 0.05 -0.13 0.06 0.07 0.44 -0.06 -0.01 0.01 0.03 -0.05 0.07 -0.12 -0.09 -0.44 0.29 0.36 -0.26 -0.09 -0.01 0.10 0.20 -0.14 0.08 -0.03 -0.07 0.22 0.00 -0.02 -0.02 0.01 -0.03 -0.05 -0.02 -0.03 -0.01 0.01 -0.05 -0.03 0.01 0.00 0.01 0.00 -0.07 -0.07 0.05 -0.01 -0.08 -0.03 -0.00 0.01 -0.02 -0.06 -0.02 -0.04 -0.04 0.00 0.01 -0.01 0.00 0.04 -0.08 -0.02 -0.01 -0.06 -0.08 -0.01 0.00 0.01 0.06 0.01 0.04 -0.03 0.02 0.03 -0.02 0.01 0.01 -0.05 0.01 0.01 0.04 0.00 0.02 -0.02 0.00 0.01 -0.01 -0.02 0.20 -0.03 -0.02 -0.03 0.02 -0.02 0.14 -0.03 0.02 -0.02 -0.05 -0.03 -0.30 -0.02 -0.02 -0.16 0.04 0.01 0.05 -0.07 0.01 -0.06 -0.03 0.08 -0.04 -0.05 -0.07 -0.50 0.29 0.01 0.07 -0.04 -0.00 0.27 0.01 0.00 -0.01 0.01 -0.01 -0.11 0.02 0.06 -0.05 -0.01 -0.03 -0.02 -0.00 0.00 0.04 -0.08 -0.15 -0.22 0.11 0.11 -0.23 0.02 -0.01 0.02 -0.06 0.17 -0.04 0.08 0.08 -0.16 -0.02 0.02 0.02 0.04 -0.09 -0.00 -0.05 -0.06 -0.09 -0.00 0.00 0.02 0.11 -0.02 0.13 -0.13 0.04 0.10 -0.06 -0.07 0.03 0.09 -0.03 0.07 0.03 0.07 0.02 -0.06 0.04 0.06 0.00 -0.01 -0.09 0.01 -0.01 -0.02 -0.00 -0.01 -0.09 0.00 -0.01 0.01 0.00 -0.01 0.08 0.02 0.00 0.05 -0.00 -0.00 -0.01 0.03 0.00 0.05 -0.03 -0.05 0.03 0.04 0.02 0.19 -0.09 0.00 -0.02 0.02 0.01 -0.09 -0.00 0.02 0.04 -0.04 0.01 -0.08 0.10 0.03 0.05 -0.06 -0.09 -0.01 -0.05 0.00 0.09 -0.16 -0.17 -0.22 0.08 0.18 -0.24 0.11 -0.01 -0.00 0.12 0.05 0.07 0.12 0.05 0.06 -0.07 0.08 0.02 0.07 -0.29 0.09 -0.19 -0.17 -0.20 0.00 -0.00 -0.01 0.07 -0.11 0.25 -0.22 0.12 0.19 0.13 -0.04 -0.02 0.14 -0.02 -0.00 0.05 0.27 -0.05 -0.24 0.15 0.16 -0.01 0.02 -0.05 0.00 0.02 -0.01 -0.02 0.02 -0.05 0.00 0.00 0.01 0.03 0.03 0.04 -0.02 0.01 0.03 -0.01 0.00 -0.00 0.03 0.00 0.03 -0.02 -0.02 0.02 -0.02 0.02 0.10 -0.05 0.00 -0.00 -0.00 -0.00 -0.03 -0.01 -0.03 0.02 0.11 -0.03 -0.02 -0.01 0.07 -0.05 -0.08 0.03 0.05 0.10 0.03 0.04 0.09 -0.14 -0.08 0.19 0.01 -0.08 0.00 -0.09 0.07 -0.19 0.31 -0.03 0.16 0.12 -0.28 -0.08 -0.07 -0.04 -0.21 0.16 0.01 -0.00 0.08 0.21 0.01 0.01 -0.00 0.18 0.02 0.10 0.05 0.11 0.08 -0.15 -0.33 0.04 0.16 -0.11 0.30 -0.19 -0.20 -0.02 0.02 -0.11 -0.19 -0.00 0.00 0.02 -0.00 0.00 0.02 0.00 0.00 0.03 0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.02 -0.00 -0.00 0.00 -0.02 -0.00 -0.03 0.03 0.03 -0.02 -0.01 -0.01 -0.06 0.02 -0.00 0.00 -0.01 -0.01 0.02 0.01 -0.03 -0.10 -0.01 -0.00 0.13 0.02 -0.11 -0.06 -0.01 0.11 -0.06 -0.01 0.01 0.17 -0.06 0.20 0.19 0.05 -0.19 0.24 0.01 -0.12 -0.05 0.00 -0.17 -0.10 0.03 -0.08 0.02 -0.00 0.13 -0.05 0.01 0.21 -0.15 -0.04 0.10 0.08 0.01 -0.02 -0.10 0.04 -0.22 0.35 -0.07 0.28 0.28 0.00 -0.23 -0.09 0.02 -0.11 0.08 0.01 0.27 -0.15 -0.03 0.15 0.12 0.03 -0.03 0.01 -0.00 -0.02 -0.00 0.00 -0.04 0.02 -0.00 0.01 0.00 -0.02 -0.03 -0.02 0.02 -0.00 -0.01 0.00 0.01 -0.00 -0.02 0.01 -0.01 0.00 0.02 -0.00 0.04 0.00 -0.04 -0.00 0.02 -0.00 0.01 0.02 -0.01 0.02 0.11 -0.03 -0.02 0.13 -0.00 -0.01 -0.07 0.12 0.00 -0.07 -0.12 -0.03 0.11 0.00 -0.04 0.17 0.01 -0.03 0.11 0.02 -0.01 -0.09 0.14 -0.02 -0.27 0.01 -0.00 -0.02 0.32 0.01 -0.09 -0.12 -0.02 -0.22 0.00 0.03 -0.06 -0.30 -0.00 0.10 -0.02 -0.03 0.08 0.02 -0.04 0.13 0.01 -0.00 -0.31 0.04 -0.01 -0.05 0.39 -0.00 -0.27 0.01 0.04 -0.11 -0.35 0.26 -0.05 -0.03 0.14 0.01 -0.05 -0.17 -0.25 0.03 0.15 0.18 0.05 -0.01 -0.06 -0.22 -0.10 0.02 -0.01 -0.12 0.09 0.07 0.09 0.05 -0.18 0.24 0.39 -0.01 0.06 0.07 -0.20 -0.39 0.16 0.04 -0.03 -0.07 -0.22 0.13 0.00 0.02 -0.02 -0.03 0.00 -0.05 0.02 0.00 -0.05 0.01 0.00 -0.01 -0.06 0.00 -0.06 -0.01 -0.01 -0.05 0.01 -0.02 -0.05 0.02 0.00 -0.08 0.02 -0.01 -0.06 0.01 -0.02 -0.05 0.02 -0.02 -0.08 -0.01 0.03 -0.07 -0.00 0.02 -0.00 -0.03 0.00 -0.03 -0.09 0.01 -0.03 -0.09 0.01 -0.06 0.08 0.04 -0.07 0.02 -0.03 -0.06 0.08 -0.07 -0.08 0.03 0.02 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.02 -0.01 -0.02 0.02 0.02 -0.01 -0.01 -0.02 -0.04 -0.02 -0.00 0.00 -0.00 0.00 -0.01 -0.02 0.02 0.18 0.00 0.01 0.03 -0.14 0.06 0.11 0.13 -0.03 0.13 0.00 0.00 -0.02 -0.03 -0.29 -0.13 0.06 0.26 -0.18 -0.13 -0.09 -0.13 -0.17 0.23 0.19 -0.05 0.08 -0.02 0.15 0.05 -0.13 0.13 -0.18 0.24 0.06 -0.07 0.00 0.00 -0.02 -0.17 0.02 -0.20 0.12 -0.03 0.24 0.06 -0.06 -0.20 -0.21 -0.09 -0.09 -0.02 0.11 0.14 -0.24 0.09 0.08 -0.01 0.00 -0.01 -0.04 -0.01 -0.01 0.02 -0.07 -0.02 0.08 0.01 -0.06 -0.04 0.03 0.00 0.25 -0.04 0.12 -0.02 0.10 0.01 -0.07 0.04 0.10 0.19 -0.10 -0.29 0.03 0.02 0.16 0.23 0.43 -0.03 -0.05 -0.02 -0.03 0.24 0.07 0.08 0.00 0.03 0.10 -0.01 -0.07 0.00 -0.02 -0.06 0.00 0.01 0.05 -0.12 0.02 -0.02 0.13 -0.02 -0.03 0.15 -0.02 -0.08 -0.01 0.00 -0.06 -0.11 -0.07 -0.10 0.00 0.09 -0.07 -0.00 -0.02 -0.06 -0.11 0.10 -0.09 -0.02 -0.11 0.17 -0.07 0.01 -0.01 -0.21 0.03 -0.01 -0.18 0.03 -0.12 0.13 0.08 -0.12 -0.00 -0.06 -0.10 0.11 -0.14 -0.12 0.02 0.03 -0.04 0.01 0.06 0.01 -0.02 -0.02 0.04 0.03 -0.08 0.00 0.02 0.02 0.03 -0.01 -0.18 0.03 -0.05 0.03 -0.04 0.00 0.04 -0.03 -0.05 -0.10 0.05 0.15 -0.02 -0.02 -0.08 -0.15 -0.26 0.01 0.02 0.04 0.03 -0.17 -0.08 0.14 -0.03 0.13 0.12 -0.00 -0.05 0.06 0.05 -0.04 0.06 -0.09 0.17 -0.08 0.02 0.11 0.12 -0.01 0.14 0.12 -0.00 -0.03 -0.08 -0.08 0.08 -0.14 0.01 -0.08 0.10 0.32 -0.04 -0.06 0.09 0.08 -0.12 -0.00 -0.05 0.03 -0.34 -0.09 -0.14 0.01 0.14 -0.05 -0.01 0.17 -0.06 0.02 0.01 0.04 -0.04 0.04 -0.14 -0.28 0.01 0.05 0.04 0.02 -0.07 0.31 0.25 0.08 -0.01 -0.14 0.27 -0.01 0.18 0.07 -0.02 -0.18 -0.02 -0.01 -0.19 0.24 0.22 0.11 -0.26 -0.00 -0.11 -0.12 0.04 0.07 -0.13 0.02 -0.21 -0.06 0.01 0.02 -0.31 -0.11 -0.09 -0.11 0.04 -0.07 0.16 0.02 0.21 0.03 0.01 -0.01 -0.00 -0.00 -0.05 0.01 0.01 -0.05 0.01 -0.02 0.00 -0.10 0.01 -0.07 0.07 -0.01 -0.10 0.05 -0.00 -0.06 0.04 0.05 -0.11 -0.04 -0.05 -0.07 -0.01 -0.01 -0.06 0.02 -0.06 -0.12 -0.03 0.03 -0.07 -0.00 -0.00 0.05 -0.02 0.01 -0.02 -0.15 0.03 -0.04 -0.15 0.02 -0.08 0.12 0.10 -0.11 0.06 0.04 -0.07 0.08 -0.12 -0.11 0.04 -0.07 -0.09 0.03 0.37 0.02 -0.04 -0.11 -0.03 -0.00 -0.33 0.03 -0.03 -0.02 0.07 -0.01 -0.28 0.05 0.06 0.17 0.02 0.01 0.03 0.08 -0.02 0.04 -0.05 -0.06 0.01 -0.05 -0.01 -0.20 -0.35 -0.11 -0.00 0.14 0.08 -0.29 0.05 -0.02 -0.01 -0.04 0.05 -0.01 -0.02 -0.05 -0.07 -0.00 -0.03 0.06 -0.04 -0.05 0.00 -0.08 0.09 -0.01 -0.07 0.06 -0.00 -0.05 0.03 0.04 -0.06 -0.05 -0.10 -0.04 -0.08 -0.11 0.00 0.03 -0.07 -0.05 -0.01 0.07 -0.03 -0.04 0.12 0.20 0.03 -0.01 -0.09 -0.14 0.02 -0.09 -0.10 0.01 -0.12 0.06 0.09 -0.12 0.07 0.12 -0.05 0.04 -0.12 -0.06 0.05 -0.15 -0.14 -0.01 -0.16 0.02 -0.07 0.06 0.09 0.10 0.09 0.03 0.03 0.07 0.04 -0.05 -0.30 0.01 -0.07 -0.05 -0.03 -0.01 0.06 -0.17 -0.12 -0.30 0.26 0.41 -0.07 -0.07 -0.12 -0.21 -0.30 0.12 0.04 0.06 -0.06 -0.21 -0.01 0.00 0.00 -0.01 0.09 -0.01 0.00 -0.05 -0.06 -0.02 -0.03 0.08 -0.01 -0.04 0.00 -0.06 0.09 -0.03 -0.02 0.12 -0.02 -0.01 0.02 0.03 -0.01 -0.07 -0.08 -0.02 -0.06 -0.07 -0.04 0.01 -0.03 -0.03 -0.05 0.10 -0.05 -0.05 0.08 0.17 0.01 0.02 -0.07 -0.09 -0.01 -0.04 -0.12 -0.00 -0.07 0.05 0.08 -0.06 0.05 0.07 -0.09 0.02 -0.08 -0.08 0.02 -0.09 0.01 -0.00 -0.01 -0.01 0.01 0.03 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.11 0.00 0.01 0.01 0.01 -0.00 -0.01 -0.03 0.00 -0.00 0.03 -0.03 -0.01 -0.01 0.00 -0.05 0.01 -0.03 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.06 -0.00 0.03 -0.01 0.00 -0.03 -0.05 -0.00 -0.00 0.04 -0.24 -0.25 -0.17 0.27 0.18 -0.18 -0.00 0.02 -0.00 0.15 -0.13 -0.02 -0.14 -0.01 0.16 0.00 -0.02 -0.03 -0.22 0.20 -0.13 0.20 0.08 0.18 0.00 0.00 0.00 -0.27 0.06 -0.19 0.30 -0.12 -0.12 -0.13 -0.10 0.01 0.13 -0.01 0.10 0.21 0.16 -0.03 -0.22 0.07 0.09 -0.02 -0.01 -0.03 -0.02 -0.02 0.04 -0.01 0.03 -0.00 -0.00 -0.03 0.01 0.01 -0.01 -0.21 0.00 0.04 0.03 0.03 -0.00 -0.00 -0.10 -0.02 -0.05 0.08 0.01 -0.02 -0.06 -0.00 -0.21 -0.05 -0.04 -0.01 0.06 0.01 -0.06 -0.05 -0.00 -0.00 0.02 -0.12 -0.01 -0.02 0.06 0.16 0.00 0.04 -0.15 0.01 -0.08 -0.01 0.11 -0.06 0.07 -0.05 -0.21 0.08 -0.00 0.03 0.10 -0.24 0.30 0.17 0.24 0.16 -0.02 0.00 0.01 -0.09 -0.11 0.16 -0.20 0.14 0.12 -0.08 0.05 -0.00 0.00 0.09 -0.12 0.08 -0.10 -0.07 0.04 0.22 0.26 0.10 -0.24 0.09 -0.07 0.13 0.15 -0.12 -0.14 0.07 -0.04 0.01 0.00 -0.01 -0.01 0.01 0.02 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.10 0.00 0.01 0.01 0.01 -0.00 -0.01 -0.02 0.00 0.00 0.02 -0.03 -0.01 -0.01 0.00 -0.05 0.01 -0.03 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.02 0.05 0.01 -0.04 -0.00 -0.01 0.07 -0.02 -0.00 -0.01 0.05 -0.22 -0.19 -0.13 0.25 0.09 -0.13 0.00 -0.02 0.01 -0.13 0.09 -0.01 0.15 0.01 -0.12 -0.00 0.05 -0.00 0.27 -0.17 0.04 -0.26 -0.08 -0.24 0.00 0.00 0.00 -0.26 0.06 -0.17 0.28 -0.12 -0.11 0.12 0.09 -0.00 -0.13 0.02 -0.09 -0.27 -0.19 0.01 0.29 -0.07 -0.17 0.01 0.00 0.01 0.01 0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.07 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.02 0.01 0.01 -0.03 -0.00 0.01 0.02 0.00 0.06 0.01 0.01 0.00 -0.02 -0.00 0.02 0.02 0.00 -0.00 0.00 0.11 0.00 0.00 -0.09 -0.00 -0.01 -0.05 0.01 -0.00 0.06 0.01 -0.08 0.08 -0.05 0.05 0.15 -0.05 0.01 -0.07 0.00 -0.35 0.19 -0.04 0.32 0.03 -0.29 0.00 -0.04 0.02 -0.20 0.10 -0.01 0.16 0.05 0.16 -0.02 -0.01 0.00 -0.08 0.09 -0.06 0.08 0.04 -0.04 0.32 0.22 -0.03 -0.31 0.00 -0.27 0.19 0.11 0.02 -0.19 0.03 0.15 -0.05 -0.00 0.07 0.05 -0.06 -0.13 0.03 0.04 0.02 0.03 0.05 0.02 0.05 -0.06 0.62 -0.02 -0.07 -0.10 -0.04 0.02 0.03 0.12 -0.02 -0.01 -0.15 0.19 0.05 0.08 0.02 0.54 -0.06 0.23 0.03 -0.04 -0.10 -0.01 -0.04 -0.00 -0.00 0.01 -0.03 0.02 0.00 0.02 0.03 0.00 0.02 -0.05 -0.00 -0.04 0.02 -0.04 -0.12 -0.04 0.09 0.01 -0.04 -0.01 0.02 0.03 -0.01 0.03 0.04 0.01 0.02 0.02 0.01 0.02 -0.04 0.01 0.04 -0.07 0.01 0.03 -0.05 0.03 0.00 0.00 -0.10 -0.04 -0.05 0.08 -0.09 -0.03 -0.00 0.04 0.04 -0.03 0.03 0.04 0.01 0.03 -0.06 0.00 0.02 -0.05 -0.00 0.01 0.04 -0.03 0.03 0.06 -0.00 -0.02 -0.04 0.02 0.04 0.04 -0.07 0.02 -0.65 -0.02 -0.08 -0.05 0.01 0.00 -0.06 -0.06 0.05 0.00 0.12 0.03 0.01 0.09 0.02 0.69 0.17 0.07 -0.05 -0.04 -0.04 0.08 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.01 -0.01 -0.00 0.01 0.02 0.01 -0.01 -0.02 0.02 0.00 0.00 0.01 -0.01 0.01 0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.03 -0.02 0.02 -0.02 -0.00 0.01 0.01 0.01 0.01 -0.01 0.01 0.00 0.00 0.01 -0.01 -0.01 0.01 -0.01 -0.05 -0.02 -0.01 -0.16 0.05 -0.03 -0.06 -0.02 0.03 0.09 0.17 0.02 -0.29 -0.01 0.24 -0.06 -0.13 0.06 0.26 -0.05 -0.06 0.05 0.31 0.17 -0.07 0.08 0.08 -0.34 -0.28 -0.16 -0.12 -0.03 -0.08 0.38 -0.10 -0.38 0.01 0.00 0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.01 0.01 0.02 0.00 -0.02 -0.02 -0.01 -0.01 -0.00 -0.01 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.01 0.01 0.02 -0.00 -0.01 0.02 -0.00 0.01 -0.01 0.01 0.01 -0.02 0.02 0.00 0.00 0.01 0.04 -0.01 0.03 0.03 -0.01 0.01 -0.01 -0.02 0.00 -0.01 -0.02 0.01 -0.00 0.02 0.00 -0.01 0.02 -0.05 -0.01 -0.03 0.09 -0.05 0.05 0.03 -0.00 -0.01 0.04 0.16 -0.09 -0.00 -0.09 -0.02 -0.01 -0.13 0.09 -0.11 0.05 -0.05 0.20 0.39 0.34 -0.11 -0.35 0.05 -0.03 -0.16 -0.28 0.27 -0.20 -0.01 -0.23 0.13 0.31 -0.07 -0.01 -0.00 0.02 0.04 -0.00 0.02 -0.01 -0.01 0.02 -0.01 0.02 0.02 -0.07 0.01 0.02 0.04 -0.01 0.01 0.03 0.00 0.01 0.04 0.05 0.01 0.00 -0.01 0.01 -0.03 -0.04 0.02 0.02 -0.05 0.01 0.00 0.01 -0.00 -0.02 0.04 -0.03 -0.00 -0.00 0.00 -0.09 0.01 -0.01 -0.08 0.02 0.00 0.04 0.05 -0.02 0.05 0.06 0.00 0.02 -0.06 -0.01 0.03 -0.07 -0.04 0.00 -0.00 0.06 -0.03 0.02 0.03 0.02 -0.01 0.01 0.05 -0.03 0.06 -0.03 -0.07 0.01 -0.07 0.02 -0.07 0.02 -0.01 0.06 0.12 0.10 -0.03 -0.11 0.01 0.02 -0.06 -0.01 0.10 -0.04 0.00 -0.12 0.09 0.13 0.10 0.01 0.01 -0.03 -0.10 0.06 -0.04 0.08 0.03 -0.03 0.00 -0.10 -0.09 0.15 -0.08 0.05 -0.33 0.01 0.03 0.04 -0.06 -0.05 -0.14 -0.09 0.03 -0.08 -0.02 -0.02 0.14 0.25 -0.08 -0.03 0.16 0.02 0.13 -0.22 0.01 0.03 0.02 0.23 0.01 0.01 -0.00 -0.01 0.09 -0.13 0.36 -0.01 -0.01 0.10 -0.00 -0.06 -0.17 -0.30 -0.08 -0.16 0.27 0.02 -0.07 -0.02 -0.01 0.00 -0.00 0.02 -0.01 0.01 0.01 0.01 -0.01 0.00 0.02 -0.01 0.02 -0.01 -0.03 0.00 -0.02 0.01 -0.02 0.01 -0.00 0.02 0.04 0.03 -0.01 -0.03 0.00 0.00 -0.02 -0.00 0.03 -0.01 0.00 -0.04 0.03 0.04 0.03 0.00 -0.01 -0.00 -0.04 -0.07 -0.01 -0.02 0.07 -0.02 0.06 0.01 -0.04 0.06 0.08 -0.03 0.23 0.04 0.04 -0.32 0.09 -0.02 0.02 -0.09 -0.02 0.20 0.18 0.01 -0.06 -0.15 -0.01 -0.09 0.00 0.00 -0.14 0.17 0.01 0.06 -0.25 0.07 0.00 0.01 -0.12 0.32 -0.15 0.10 -0.24 -0.07 -0.05 -0.26 -0.20 0.06 0.04 0.21 0.06 0.19 -0.18 -0.11 -0.04 0.31 -0.05 -0.04 0.00 -0.15 0.05 -0.00 0.06 -0.01 -0.01 0.15 0.06 0.00 -0.32 -0.02 0.01 0.06 0.11 -0.03 -0.10 -0.11 0.03 0.42 -0.06 0.04 0.17 -0.10 0.03 0.25 0.20 -0.06 -0.01 -0.24 0.03 -0.16 -0.43 0.09 -0.00 -0.04 0.01 -0.01 0.05 -0.00 -0.01 -0.02 0.05 -0.01 -0.02 -0.05 0.03 -0.03 0.00 -0.04 0.05 -0.02 -0.05 0.08 -0.01 -0.00 0.02 -0.05 -0.00 0.12 0.13 0.01 -0.04 -0.09 -0.01 0.02 0.05 0.01 0.08 -0.15 -0.00 -0.01 0.06 0.02 0.03 -0.01 0.00 -0.08 0.01 -0.00 -0.05 0.01 -0.00 -0.14 -0.12 0.04 0.03 0.10 -0.00 -0.09 0.14 0.05 -0.01 -0.06 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.02 0.00 -0.02 -0.00 -0.01 0.00 0.01 0.01 -0.00 -0.03 0.00 -0.00 -0.01 0.01 -0.00 -0.02 -0.01 -0.00 0.00 0.01 -0.00 0.01 0.03 -0.00 -0.00 0.01 0.09 -0.01 0.01 0.09 0.06 -0.11 -0.05 -0.06 0.09 -0.08 0.01 -0.01 -0.10 0.05 -0.29 -0.01 -0.05 0.28 -0.08 -0.02 0.11 0.03 0.00 0.08 0.02 0.05 -0.16 -0.24 0.02 -0.10 0.06 -0.01 -0.07 0.02 -0.02 0.11 -0.27 0.00 -0.01 -0.06 0.09 -0.25 0.11 -0.10 0.27 0.03 -0.15 -0.08 0.01 -0.09 0.19 0.34 0.16 0.08 0.01 0.06 -0.10 0.38 0.02 0.02 -0.00 0.06 -0.02 0.00 -0.03 0.01 0.00 -0.06 -0.02 -0.00 0.13 0.01 -0.01 -0.03 -0.04 0.01 0.05 0.04 -0.01 -0.17 0.03 -0.02 -0.07 0.05 -0.01 -0.11 -0.08 0.02 0.00 0.10 -0.01 0.07 0.17 -0.04 0.02 -0.08 0.01 0.03 0.11 -0.01 -0.02 -0.03 0.10 -0.01 -0.05 -0.08 0.01 -0.09 0.01 -0.03 0.15 -0.03 -0.03 0.12 0.00 -0.01 0.03 -0.10 -0.01 0.23 0.24 0.00 -0.07 -0.17 -0.02 0.06 0.09 0.02 0.17 -0.28 -0.01 -0.04 0.20 0.01 0.06 -0.00 -0.08 -0.17 0.01 -0.08 -0.19 0.02 0.01 -0.28 -0.26 0.11 0.04 0.17 -0.04 -0.21 0.31 0.11 -0.00 -0.18 0.00 0.00 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.01 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.02 -0.05 -0.00 0.03 -0.12 -0.04 -0.01 0.21 0.04 0.00 0.05 -0.00 -0.02 -0.08 -0.07 -0.02 -0.09 0.12 -0.04 0.11 0.04 0.01 -0.22 -0.03 -0.05 -0.18 -0.10 -0.14 -0.21 -0.04 0.01 0.39 0.07 -0.09 0.35 0.09 -0.16 -0.01 -0.01 0.01 0.10 -0.02 0.03 0.06 0.11 0.01 0.19 -0.08 -0.08 0.21 0.01 0.03 -0.34 0.06 -0.16 -0.37 0.01 -0.06 0.01 0.00 -0.00 0.02 -0.02 0.00 0.00 0.01 -0.00 -0.01 -0.01 0.00 -0.04 -0.05 0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.03 0.00 -0.00 -0.01 0.00 -0.00 -0.03 -0.01 0.01 0.01 0.01 -0.00 -0.00 0.02 0.01 0.01 -0.01 -0.00 -0.17 -0.02 -0.02 0.17 0.01 0.02 0.06 -0.02 -0.00 0.16 0.01 0.02 -0.32 0.12 -0.03 -0.31 0.07 -0.03 -0.16 -0.02 -0.02 0.28 0.13 0.13 0.28 0.07 0.07 -0.06 0.01 0.00 0.10 0.06 -0.08 0.10 0.00 0.03 -0.01 -0.02 -0.00 0.29 0.17 -0.01 0.29 0.13 0.00 -0.30 0.03 0.07 -0.28 0.03 0.07 -0.11 -0.02 -0.01 -0.08 0.01 -0.08 -0.02 0.01 -0.00 -0.02 0.04 0.00 -0.01 -0.05 0.01 0.00 0.00 -0.01 0.04 0.07 0.00 0.02 0.00 -0.01 0.01 -0.01 0.01 0.05 -0.02 0.01 -0.01 -0.01 -0.00 0.07 0.03 -0.01 -0.04 -0.02 0.01 0.03 -0.02 -0.04 -0.00 0.01 -0.00 0.19 0.04 0.01 0.16 0.00 -0.01 0.13 0.00 0.02 -0.17 -0.00 -0.01 0.32 -0.05 0.03 0.32 -0.07 0.04 -0.14 -0.02 -0.01 0.24 0.07 0.07 0.23 0.05 0.06 -0.12 -0.01 -0.00 0.21 0.04 -0.04 0.20 0.03 -0.04 -0.05 -0.01 -0.00 -0.29 -0.12 -0.01 -0.28 -0.12 -0.01 -0.24 0.03 0.06 -0.24 0.02 0.04 -0.19 0.01 -0.07 -0.20 0.01 -0.06 0.04 -0.02 0.02 -0.01 -0.03 -0.09 0.02 0.05 -0.03 -0.00 0.02 0.17 -0.09 -0.08 0.18 -0.00 0.02 0.10 -0.04 -0.03 -0.17 -0.39 -0.02 -0.19 0.31 0.30 0.02 -0.16 -0.07 -0.18 0.43 0.04 -0.13 -0.24 -0.25 0.31 0.03 0.00 0.01 0.02 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.02 0.00 0.00 0.03 -0.00 0.00 0.01 0.01 -0.00 -0.01 -0.01 -0.00 0.02 -0.01 -0.01 0.01 -0.00 -0.01 -0.01 0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.02 -0.00 0.00 -0.03 0.01 -0.00 -0.03 -0.02 -0.00 -0.02 0.00 0.01 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.12 -0.05 0.01 0.06 -0.13 0.05 0.06 0.14 -0.03 -0.09 0.10 -0.03 -0.13 -0.23 -0.16 -0.06 0.11 -0.05 0.01 -0.12 0.04 -0.23 0.34 0.19 -0.36 0.03 0.07 -0.25 0.05 0.18 -0.21 -0.29 0.02 0.03 -0.42 -0.14 0.05 -0.00 -0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.02 0.00 -0.00 -0.00 0.03 -0.00 0.02 0.02 -0.00 -0.01 0.00 0.00 -0.01 -0.02 -0.02 -0.01 -0.01 -0.01 -0.01 -0.00 0.00 -0.00 -0.02 0.02 -0.02 -0.01 0.03 -0.03 -0.01 -0.00 -0.04 -0.02 -0.00 -0.03 0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.00 -0.01 0.00 -0.01 0.03 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 0.03 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 0.01 0.01 0.00 0.01 -0.00 -0.01 0.01 0.01 -0.00 -0.01 -0.00 0.01 0.00 -0.01 -0.10 -0.00 0.00 -0.03 -0.01 0.05 0.05 0.01 -0.04 0.06 0.00 -0.00 -0.05 -0.30 0.27 -0.07 0.31 -0.28 0.04 0.01 0.05 0.05 -0.06 0.02 0.01 0.03 0.08 0.09 -0.02 -0.04 0.05 0.07 -0.01 0.01 -0.05 -0.07 0.11 0.01 -0.01 -0.08 -0.23 -0.42 0.04 0.24 0.43 -0.03 0.05 0.03 0.02 -0.08 0.11 0.15 -0.06 -0.02 0.00 0.07 -0.07 0.19 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 0.10 -0.01 -0.01 -0.08 0.01 0.01 -0.00 -0.05 0.01 0.01 0.05 0.03 -0.08 0.01 -0.01 -0.09 0.01 0.02 -0.11 0.01 -0.01 0.00 -0.05 -0.15 -0.15 -0.22 0.19 0.14 0.14 -0.02 0.02 0.05 -0.19 -0.11 0.24 0.22 0.11 -0.16 -0.01 0.08 -0.01 -0.00 -0.14 0.02 0.02 -0.10 0.01 0.23 -0.19 -0.27 -0.22 0.12 0.17 0.21 -0.13 0.35 -0.20 0.08 -0.22 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.03 -0.00 -0.00 0.02 -0.00 0.04 -0.01 0.00 -0.04 0.01 -0.00 -0.00 0.02 0.12 -0.14 0.02 -0.12 0.14 -0.03 -0.00 0.03 -0.00 -0.15 -0.16 -0.19 0.16 0.18 0.23 -0.00 -0.03 0.01 0.16 0.11 -0.19 -0.17 -0.12 0.24 0.00 0.00 -0.02 0.10 0.17 -0.03 -0.10 -0.19 0.00 0.23 -0.15 -0.20 -0.23 0.16 0.24 -0.19 0.09 -0.23 0.18 -0.09 0.28 0.08 -0.08 0.01 -0.10 -0.08 0.01 0.03 0.14 -0.02 0.12 -0.08 -0.04 -0.38 -0.23 -0.04 -0.09 -0.01 0.01 -0.03 0.13 0.03 0.30 -0.21 -0.08 0.23 -0.23 -0.05 -0.46 -0.17 0.12 -0.00 0.26 0.03 -0.02 0.34 0.06 0.06 -0.01 0.00 0.03 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 -0.02 0.00 -0.00 -0.01 0.04 -0.00 0.00 0.03 -0.00 -0.01 0.00 0.00 -0.00 -0.02 -0.02 -0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.01 -0.02 0.03 -0.00 -0.00 0.02 -0.04 -0.00 -0.00 -0.05 -0.02 -0.01 -0.03 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.02 -0.01 -0.01 0.00 0.01 -0.01 0.02 0.00 -0.01 -0.00 -0.00 -0.00 0.05 0.00 -0.01 -0.01 0.00 -0.01 -0.04 0.05 0.02 -0.12 0.01 0.01 0.05 -0.00 -0.01 -0.04 0.32 -0.17 -0.01 -0.51 0.29 0.05 -0.07 -0.04 -0.11 0.11 0.59 -0.04 -0.07 -0.33 0.04 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.02 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 0.02 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.02 0.00 -0.01 0.13 0.01 -0.02 -0.01 -0.02 0.01 -0.07 0.04 0.01 -0.10 -0.03 -0.03 -0.00 0.01 0.21 -0.14 0.05 0.13 -0.17 0.03 0.02 0.07 -0.05 -0.32 -0.03 -0.10 0.16 -0.02 -0.09 0.00 0.09 0.04 -0.35 0.02 0.04 0.26 0.03 0.07 0.01 -0.10 -0.01 0.06 0.16 -0.03 0.14 0.16 -0.01 -0.34 0.02 0.12 0.17 0.04 0.10 -0.36 -0.03 -0.12 0.29 -0.02 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.14 0.01 -0.01 -0.11 0.01 0.05 -0.05 -0.01 -0.03 -0.03 -0.00 0.01 0.10 0.26 0.09 0.06 -0.34 -0.02 0.03 0.03 -0.05 0.04 0.09 -0.10 -0.09 -0.30 -0.13 -0.08 -0.04 0.03 0.01 0.03 0.08 -0.13 0.25 0.10 -0.11 0.01 0.01 -0.10 -0.35 -0.11 -0.06 0.32 0.03 -0.03 0.10 0.11 0.08 -0.31 0.08 0.08 -0.00 -0.08 0.13 0.23 -0.07 0.16 -0.02 0.00 0.00 0.06 -0.00 0.01 -0.01 -0.04 0.01 -0.07 0.07 0.05 -0.21 -0.13 -0.01 0.03 0.07 -0.03 -0.00 -0.10 -0.04 0.49 -0.33 -0.06 -0.04 0.20 0.03 -0.34 -0.09 0.08 0.11 -0.20 -0.04 0.07 0.56 -0.02 -0.02 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.04 -0.04 0.00 0.03 -0.03 0.01 0.00 0.00 -0.00 -0.00 0.02 0.01 0.01 0.01 0.01 0.01 -0.00 0.00 0.01 0.01 -0.02 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 0.00 0.01 -0.01 0.00 -0.01 -0.02 0.01 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.02 -0.00 -0.00 -0.00 0.01 -0.00 0.01 0.05 0.00 0.04 -0.03 -0.00 -0.04 -0.02 0.00 -0.01 -0.05 -0.28 0.10 -0.05 0.28 -0.10 0.01 -0.00 -0.04 0.03 0.26 0.07 0.12 -0.27 -0.14 -0.13 -0.00 0.04 0.02 -0.25 -0.04 0.10 0.28 0.10 -0.13 0.00 0.00 0.00 0.23 0.14 0.02 -0.24 -0.14 0.02 0.27 -0.04 -0.11 -0.24 0.05 0.06 -0.23 0.01 -0.13 0.23 -0.04 0.11 -0.01 0.01 0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.03 -0.02 -0.00 0.00 -0.01 0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.03 0.03 0.01 0.07 0.02 -0.01 0.01 -0.01 -0.00 0.01 0.04 -0.00 -0.00 -0.03 -0.01 0.04 -0.05 0.01 -0.02 -0.04 -0.02 -0.02 -0.03 0.02 0.04 0.05 -0.00 -0.21 0.15 -0.03 -0.25 0.18 -0.04 -0.03 0.03 0.02 -0.03 0.03 0.01 0.30 0.18 0.21 -0.02 0.02 -0.02 -0.08 -0.00 0.02 0.30 0.12 -0.19 -0.01 0.05 0.00 -0.21 -0.25 0.01 -0.17 -0.20 0.01 -0.05 0.00 0.01 0.32 -0.14 -0.20 -0.11 0.02 -0.08 0.27 -0.08 0.23 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.00 0.00 -0.03 0.01 -0.00 -0.03 0.01 0.00 -0.04 -0.00 -0.00 0.01 0.23 -0.11 0.04 -0.18 0.07 -0.01 -0.07 0.02 0.04 0.20 0.08 0.11 -0.03 -0.02 -0.02 0.07 -0.01 0.06 -0.22 -0.06 0.11 -0.04 -0.02 0.03 -0.00 -0.00 0.06 -0.19 -0.19 0.01 0.22 0.24 -0.01 0.38 -0.18 -0.27 0.12 -0.08 -0.10 -0.32 0.11 -0.33 -0.16 0.07 -0.18 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.02 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 0.02 0.00 0.01 0.00 0.00 0.01 -0.01 -0.00 0.00 0.02 0.00 -0.00 -0.04 0.01 0.11 -0.03 0.01 -0.04 -0.00 -0.02 -0.07 -0.01 0.02 -0.09 -0.05 -0.00 -0.26 0.30 -0.04 -0.22 0.26 -0.05 0.05 0.00 -0.03 0.02 0.03 0.04 0.11 0.13 0.17 0.07 0.00 0.04 0.11 0.07 -0.13 0.19 0.12 -0.24 -0.00 -0.04 0.00 0.17 0.29 -0.03 0.16 0.29 -0.02 -0.10 0.03 0.06 -0.17 0.12 0.18 -0.13 0.04 -0.13 -0.19 0.09 -0.28 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.02 0.01 -0.00 0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 -0.01 -0.07 0.02 -0.00 0.01 -0.09 -0.03 -0.04 0.09 0.03 -0.04 -0.02 -0.01 0.02 0.10 -0.08 0.01 -0.18 0.17 -0.04 0.07 -0.02 -0.01 0.29 0.27 0.32 0.12 0.15 0.20 -0.06 0.02 -0.01 -0.35 -0.20 0.35 -0.16 -0.10 0.20 0.00 -0.01 -0.01 -0.00 0.07 -0.02 0.08 0.05 -0.01 -0.08 0.10 0.13 -0.19 0.11 0.16 0.06 -0.07 0.15 0.12 -0.05 0.14 -0.01 0.03 -0.00 0.02 -0.01 0.01 -0.03 0.03 0.00 -0.01 -0.01 0.01 -0.23 -0.14 -0.00 -0.02 -0.03 0.01 0.02 -0.01 -0.01 0.07 -0.07 -0.02 -0.07 0.08 0.01 0.37 0.15 -0.09 0.02 -0.05 -0.01 0.04 0.10 -0.02 -0.01 0.00 0.00 0.08 -0.03 0.01 0.06 0.03 0.04 0.05 0.02 -0.03 -0.07 -0.04 -0.00 -0.20 0.18 -0.04 -0.17 0.16 -0.03 -0.06 0.02 0.02 -0.19 -0.16 -0.19 -0.14 -0.14 -0.17 -0.05 0.01 -0.03 -0.15 -0.07 0.14 -0.14 -0.08 0.14 0.02 -0.01 0.00 0.15 0.20 -0.01 0.14 0.20 -0.02 0.15 -0.08 -0.13 0.17 -0.09 -0.11 0.14 -0.04 0.15 0.13 -0.05 0.12 0.01 0.04 0.00 0.03 -0.03 0.01 -0.04 0.06 -0.00 -0.00 -0.02 0.00 -0.46 -0.26 -0.01 -0.04 -0.04 0.02 0.02 -0.02 -0.01 0.01 -0.04 -0.01 -0.09 0.07 0.01 0.54 0.21 -0.13 0.03 0.03 -0.01 0.05 0.11 -0.03 0.01 0.00 -0.00 -0.02 0.00 0.00 -0.01 0.01 0.01 -0.01 0.00 -0.01 0.04 0.04 -0.00 0.03 -0.06 0.00 0.05 -0.06 0.01 0.05 -0.02 -0.03 0.00 0.00 0.01 -0.03 -0.01 -0.02 0.04 -0.01 0.04 -0.00 -0.00 -0.01 -0.02 0.00 0.01 -0.02 -0.00 -0.00 -0.14 -0.16 -0.00 -0.16 -0.17 0.02 -0.17 0.07 0.12 -0.19 0.09 0.11 -0.15 0.03 -0.14 -0.16 0.06 -0.14 0.02 0.02 0.00 0.01 -0.01 0.00 -0.02 0.03 -0.00 0.00 -0.01 -0.00 -0.23 -0.13 -0.01 -0.02 -0.02 0.01 0.01 -0.01 -0.00 -0.02 -0.00 -0.01 -0.04 0.02 0.00 0.23 0.09 -0.05 0.01 0.04 -0.00 0.02 0.04 -0.01 0.03 0.00 0.00 -0.05 0.06 -0.01 -0.05 -0.04 -0.05 -0.05 -0.02 0.05 -0.04 -0.06 0.00 0.24 -0.18 0.03 0.23 -0.17 0.04 -0.03 0.03 0.04 0.22 0.17 0.19 0.17 0.13 0.18 -0.03 0.02 -0.05 0.24 0.11 -0.19 0.18 0.08 -0.17 0.02 -0.01 0.00 0.17 0.18 -0.00 0.17 0.17 -0.02 0.19 -0.06 -0.11 0.15 -0.06 -0.06 0.18 -0.03 0.14 0.14 -0.04 0.10 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.02 0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.03 0.24 0.01 -0.01 -0.05 -0.03 -0.06 -0.12 0.05 0.03 -0.12 0.00 -0.00 -0.01 -0.30 0.37 -0.04 0.28 -0.34 0.07 -0.01 0.02 0.02 0.03 0.03 -0.04 0.24 0.20 0.33 0.01 -0.02 0.03 -0.03 -0.03 -0.04 -0.28 -0.13 0.34 0.00 0.00 -0.01 0.05 0.04 -0.00 -0.06 -0.04 -0.00 0.05 -0.04 -0.03 0.10 -0.03 -0.07 -0.05 0.03 -0.05 -0.09 0.01 -0.08 -0.02 0.05 -0.00 0.07 0.03 -0.02 0.00 -0.05 0.00 -0.10 0.02 -0.03 -0.42 -0.21 0.03 0.04 0.01 0.01 0.02 -0.01 0.04 -0.00 -0.01 0.00 0.44 -0.39 -0.11 -0.16 -0.08 0.02 -0.04 0.43 0.03 0.01 -0.34 -0.02 -0.03 0.06 -0.01 0.03 -0.04 0.01 -0.00 -0.02 -0.00 -0.00 -0.02 0.01 -0.00 0.01 -0.00 -0.08 0.03 -0.02 -0.07 0.04 -0.00 -0.00 -0.00 0.00 0.05 0.07 0.07 -0.04 -0.05 -0.05 -0.00 -0.00 -0.00 0.05 0.05 -0.07 -0.04 -0.04 0.05 0.02 -0.01 0.00 -0.01 -0.01 0.01 -0.02 -0.02 -0.00 0.02 -0.01 -0.01 0.00 -0.00 0.00 0.02 -0.00 0.02 0.01 -0.00 0.01 0.01 -0.02 -0.00 -0.03 -0.01 0.01 0.00 0.02 -0.00 0.04 -0.02 0.01 0.14 0.07 -0.01 -0.02 -0.01 -0.00 -0.01 0.01 -0.01 -0.02 0.01 -0.00 -0.18 0.15 0.04 0.05 0.03 -0.01 0.01 -0.17 -0.01 -0.01 0.12 0.01 -0.00 0.23 -0.03 0.05 -0.12 0.02 -0.01 -0.07 -0.03 -0.02 -0.06 0.04 0.01 0.05 -0.00 -0.15 0.13 0.03 -0.15 0.13 -0.08 -0.00 0.00 0.02 0.24 0.29 0.29 -0.15 -0.18 -0.19 -0.00 -0.00 -0.02 0.27 0.21 -0.31 -0.17 -0.13 0.20 -0.00 -0.05 0.00 -0.09 -0.09 0.01 -0.09 -0.10 -0.00 0.11 -0.05 -0.06 -0.04 0.02 0.02 0.10 -0.04 0.09 -0.03 0.01 -0.02 0.01 -0.02 -0.00 0.01 -0.01 0.01 0.01 0.02 -0.00 -0.10 0.01 0.03 0.08 0.01 -0.01 -0.04 -0.04 0.01 0.06 0.16 -0.03 0.45 -0.38 -0.08 0.09 0.02 -0.03 0.07 0.00 -0.01 -0.10 -0.53 -0.03 -0.04 -0.53 0.02 0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.02 -0.01 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.01 0.02 0.01 0.01 0.00 0.00 0.00 0.01 0.01 -0.01 0.02 0.01 -0.02 0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.02 0.06 0.00 -0.01 -0.02 -0.01 0.00 -0.01 0.01 -0.01 -0.01 -0.00 -0.03 -0.06 -0.04 0.06 -0.01 0.03 -0.08 0.02 0.06 -0.07 -0.13 0.04 -0.13 -0.06 0.06 0.02 -0.11 -0.03 0.01 -0.13 0.01 0.12 -0.12 -0.06 -0.05 -0.05 -0.02 0.09 0.31 -0.11 -0.36 0.08 0.20 0.39 -0.02 -0.17 -0.15 -0.06 -0.33 0.10 0.07 0.09 0.15 -0.18 0.31 -0.10 0.23 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.03 0.02 0.01 -0.00 0.00 -0.00 -0.01 -0.04 -0.00 -0.00 -0.00 0.01 -0.00 0.09 -0.02 0.01 -0.02 0.01 -0.00 -0.02 0.01 -0.01 -0.02 -0.00 -0.04 -0.16 0.03 -0.01 -0.13 -0.05 -0.04 -0.08 0.07 0.02 -0.08 -0.00 0.07 0.03 0.07 -0.02 -0.07 -0.15 0.03 -0.08 0.07 0.08 -0.03 -0.03 -0.02 -0.02 0.17 -0.02 0.31 -0.09 0.28 0.12 0.06 0.24 -0.02 -0.04 -0.27 0.18 0.25 0.11 -0.17 -0.31 -0.29 0.06 -0.28 -0.05 -0.05 0.29 0.03 -0.08 0.01 -0.04 -0.05 -0.01 -0.02 0.08 -0.01 -0.08 0.10 0.01 0.52 0.21 -0.02 -0.06 -0.00 0.02 0.02 -0.09 0.01 0.28 -0.08 0.03 0.41 -0.21 -0.07 0.33 0.17 -0.09 0.11 0.35 -0.00 0.09 0.15 -0.10 0.02 0.01 0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.03 0.04 0.04 0.03 0.03 -0.04 0.00 -0.00 0.00 0.01 0.02 0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.01 -0.01 -0.01 0.00 -0.02 0.01 -0.00 0.01 -0.01 0.01 0.01 -0.01 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 0.00 0.05 -0.01 -0.02 -0.05 0.01 -0.03 0.00 -0.00 -0.00 -0.01 -0.05 -0.03 -0.04 -0.01 0.02 0.01 0.00 0.00 -0.26 0.32 0.01 -0.27 -0.10 0.32 -0.02 -0.00 0.00 0.30 -0.37 0.12 0.27 0.19 0.38 -0.00 0.00 0.02 -0.02 -0.01 -0.01 -0.00 0.03 0.01 -0.07 -0.14 -0.03 -0.10 0.02 -0.12 0.10 0.15 -0.06 0.13 -0.06 -0.13 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.05 -0.02 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.03 -0.03 -0.02 0.01 -0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.01 -0.00 -0.02 -0.00 -0.04 -0.03 0.00 0.04 -0.01 -0.02 0.02 -0.00 0.02 -0.02 0.01 -0.00 0.23 0.31 0.28 0.27 0.25 -0.30 0.01 0.00 0.01 -0.23 0.25 -0.01 -0.21 -0.07 0.28 0.01 -0.00 -0.00 -0.16 0.18 -0.05 -0.12 -0.09 -0.21 -0.00 0.02 -0.00 0.13 -0.10 0.16 0.15 -0.13 -0.11 -0.08 -0.11 -0.01 -0.07 0.01 -0.13 -0.06 -0.07 0.01 -0.05 0.03 0.09 -0.00 -0.01 0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.02 -0.05 -0.02 -0.02 0.00 0.00 -0.01 0.00 -0.00 0.04 -0.02 -0.03 0.17 0.23 0.48 0.28 0.42 -0.18 0.01 0.01 -0.00 -0.43 0.06 -0.05 -0.13 0.07 0.42 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.02 0.02 -0.01 -0.01 -0.01 -0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.01 0.00 0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.03 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 -0.01 0.00 0.01 0.00 -0.00 0.04 -0.00 0.00 0.01 -0.00 -0.03 0.01 -0.00 0.00 0.03 0.04 -0.00 0.04 -0.01 -0.02 0.03 -0.01 0.03 0.02 -0.02 0.00 -0.19 -0.28 -0.25 -0.22 -0.22 0.27 0.01 0.00 0.01 -0.22 0.28 0.01 -0.22 -0.08 0.29 0.01 0.00 -0.01 -0.20 0.26 -0.09 -0.18 -0.13 -0.28 0.00 0.00 0.00 -0.11 0.09 -0.15 -0.13 0.12 0.10 -0.06 -0.11 -0.01 -0.07 0.01 -0.11 -0.06 -0.10 0.03 -0.07 0.03 0.09 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.06 -0.02 -0.04 -0.02 0.00 0.00 -0.00 0.00 -0.06 0.03 0.04 0.12 0.18 0.39 0.21 0.35 -0.15 -0.03 -0.02 0.01 0.53 -0.08 0.06 0.14 -0.09 -0.52 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 0.01 0.01 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.03 -0.02 0.04 0.03 -0.03 -0.03 -0.01 -0.02 -0.00 -0.01 0.00 -0.01 -0.00 -0.01 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.02 -0.01 -0.00 -0.00 0.00 0.02 -0.00 0.00 0.00 -0.01 -0.02 -0.00 0.00 -0.00 -0.02 -0.02 0.00 -0.01 0.00 0.01 0.02 -0.01 0.02 0.03 -0.04 0.01 0.08 0.10 0.10 0.09 0.08 -0.11 0.01 0.01 0.02 0.05 -0.05 0.01 0.04 0.01 -0.06 -0.05 -0.03 0.06 -0.11 0.13 -0.03 -0.10 -0.07 -0.13 -0.00 0.02 -0.03 -0.18 0.17 -0.26 -0.22 0.18 0.18 -0.09 -0.14 0.01 -0.08 0.01 -0.17 0.26 0.44 -0.14 0.32 -0.18 -0.38 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.02 0.01 0.02 -0.01 -0.01 -0.00 0.00 0.03 -0.01 0.00 0.01 -0.01 -0.03 -0.00 0.00 0.00 -0.02 -0.02 0.00 0.02 -0.01 -0.01 -0.01 0.00 -0.00 0.04 -0.05 0.00 0.09 0.12 0.12 0.11 0.09 -0.13 -0.04 -0.04 -0.05 -0.11 0.13 -0.01 -0.11 -0.05 0.13 0.01 0.00 -0.02 0.03 -0.03 0.00 0.02 0.01 0.04 -0.00 0.03 0.02 -0.22 0.15 -0.29 -0.24 0.25 0.20 0.22 0.45 0.05 0.26 -0.07 0.42 -0.07 -0.09 0.00 -0.06 0.03 0.12 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.02 -0.00 0.02 -0.01 -0.01 0.02 -0.01 0.02 -0.03 0.03 -0.01 -0.07 -0.10 -0.09 -0.08 -0.08 0.10 -0.03 -0.03 -0.04 -0.09 0.11 -0.00 -0.09 -0.04 0.11 -0.03 -0.02 0.04 -0.08 0.10 -0.03 -0.07 -0.06 -0.11 -0.02 0.00 -0.00 0.19 -0.16 0.26 0.22 -0.22 -0.18 0.17 0.35 0.04 0.20 -0.04 0.34 0.18 0.32 -0.11 0.22 -0.12 -0.28 0.12 0.28 -0.01 -0.19 -0.31 0.02 -0.40 0.12 0.04 0.01 0.03 -0.00 0.31 -0.13 -0.01 0.45 -0.07 -0.07 -0.04 0.01 0.00 0.17 0.00 0.08 0.13 0.02 -0.03 -0.07 -0.36 0.09 -0.10 -0.09 -0.01 -0.10 -0.16 0.13 0.03 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.01 -0.01 -0.01 0.02 0.00 -0.00 0.00 0.01 0.01 0.01 -0.02 -0.02 -0.02 0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.02 -0.01 0.02 -0.02 -0.00 -0.00 0.01 -0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.11 0.56 -0.04 -0.23 -0.32 0.01 0.36 -0.30 -0.01 0.00 0.02 0.01 0.28 -0.14 0.06 -0.28 0.05 0.04 0.01 -0.02 -0.01 0.16 -0.04 0.05 0.07 0.00 -0.03 -0.04 0.20 -0.03 0.04 0.05 0.01 0.05 0.14 -0.07 -0.05 -0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.02 0.02 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.02 0.04 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.02 -0.05 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.05 0.05 0.11 -0.09 0.19 0.12 0.69 -0.01 0.01 0.00 0.04 -0.01 -0.65 0.11 -0.02 0.06 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.02 -0.04 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.02 -0.00 -0.05 0.09 0.16 -0.14 0.16 0.10 0.60 0.01 -0.01 -0.00 -0.04 0.01 0.69 -0.23 0.02 -0.10 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 -0.03 -0.03 -0.01 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.23 -0.25 0.46 -0.35 0.65 -0.16 -0.00 -0.00 0.00 0.06 0.11 0.13 0.10 -0.20 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.01 -0.03 0.03 -0.07 -0.03 -0.08 0.01 0.01 -0.01 -0.01 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 0.05 -0.03 0.04 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.07 -0.07 0.14 -0.10 0.19 -0.04 0.01 0.00 -0.01 -0.19 -0.35 -0.43 -0.34 0.65 -0.02 -0.00 -0.00 0.00 -0.01 0.01 0.02 -0.01 0.00 -0.02 -0.02 0.02 -0.04 -0.01 -0.04 0.01 -0.05 0.06 0.07 -0.04 -0.10 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.04 0.05 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 -0.02 0.00 -0.26 -0.21 0.51 -0.18 -0.32 -0.48 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 0.01 0.01 0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.18 0.17 0.27 -0.13 0.09 -0.32 -0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.02 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.04 0.03 -0.01 -0.12 -0.10 0.24 -0.09 -0.15 -0.23 0.02 0.02 0.02 0.01 0.02 -0.03 0.02 -0.04 0.01 0.01 0.01 -0.01 0.01 0.01 0.02 0.02 -0.03 0.00 0.00 -0.00 -0.00 0.25 -0.23 -0.37 0.18 -0.12 0.44 -0.15 0.14 -0.30 -0.12 -0.33 0.06 -0.09 0.11 0.12 -0.06 -0.18 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.00 -0.03 -0.03 0.07 -0.02 -0.04 -0.06 -0.03 -0.02 -0.03 -0.02 -0.02 0.03 -0.03 0.05 -0.01 0.03 0.02 -0.03 0.01 0.03 0.03 0.03 -0.06 0.00 -0.00 -0.00 0.00 0.07 -0.06 -0.10 0.05 -0.03 0.11 0.20 -0.19 0.40 0.16 0.45 -0.09 -0.23 0.28 0.31 -0.17 -0.45 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.02 -0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.03 0.02 -0.00 -0.08 -0.07 0.17 -0.06 -0.10 -0.16 -0.02 -0.02 -0.02 -0.02 -0.02 0.04 -0.03 0.06 -0.02 -0.03 -0.01 0.03 -0.02 -0.04 -0.05 -0.05 0.09 -0.00 -0.00 0.00 -0.00 0.16 -0.15 -0.24 0.12 -0.08 0.29 0.14 -0.13 0.29 0.12 0.33 -0.06 0.22 -0.27 -0.31 0.16 0.44 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.04 0.04 0.01 -0.02 -0.00 0.00 -0.00 -0.00 -0.06 0.01 -0.03 0.26 0.46 -0.35 -0.03 -0.02 -0.10 -0.02 0.04 -0.00 -0.02 0.00 0.15 0.70 -0.08 0.26 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 0.04 -0.05 -0.01 0.03 0.00 0.00 -0.00 -0.00 -0.05 0.00 -0.04 -0.30 -0.53 0.40 0.07 0.05 0.23 -0.02 0.03 -0.00 -0.02 0.00 0.22 0.56 -0.06 0.21 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.06 -0.06 0.00 -0.02 -0.01 0.00 -0.00 -0.01 0.02 0.02 -0.05 -0.02 -0.03 -0.04 0.00 -0.03 0.02 -0.28 -0.29 0.55 0.25 -0.44 0.10 -0.00 0.01 0.00 0.07 0.11 0.14 -0.07 0.13 -0.01 -0.00 0.00 0.00 -0.02 0.02 0.03 0.02 -0.01 0.04 -0.12 0.11 -0.24 0.10 0.28 -0.04 0.04 -0.05 -0.06 -0.03 -0.09 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.02 0.02 0.00 -0.07 -0.04 0.00 -0.00 -0.01 0.02 0.02 -0.04 -0.02 -0.02 -0.04 -0.00 0.01 -0.01 0.08 0.09 -0.16 -0.07 0.13 -0.03 -0.00 0.04 0.02 0.22 0.38 0.48 -0.24 0.45 -0.03 0.00 -0.00 0.00 -0.03 0.02 0.04 0.02 -0.02 0.05 0.03 -0.03 0.07 -0.03 -0.08 0.01 0.16 -0.18 -0.22 -0.12 -0.31 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.06 -0.00 -0.01 0.01 -0.00 0.01 0.01 0.01 -0.01 -0.07 0.18 0.16 -0.35 -0.13 -0.23 -0.34 0.00 -0.00 0.00 0.03 0.03 -0.06 -0.03 0.05 -0.01 -0.00 -0.00 -0.00 -0.04 -0.06 -0.08 0.04 -0.07 0.00 0.00 -0.00 -0.00 -0.27 0.25 0.39 0.21 -0.15 0.49 -0.01 0.01 -0.02 0.01 0.02 -0.00 -0.01 0.01 0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.03 -0.00 -0.02 0.02 -0.00 0.02 0.01 0.00 -0.00 -0.01 -0.10 -0.08 0.18 0.07 0.12 0.17 0.00 -0.05 0.04 0.10 0.10 -0.20 -0.09 0.16 -0.04 -0.00 0.05 0.02 -0.07 -0.13 -0.16 0.08 -0.15 0.01 0.00 -0.00 -0.00 -0.06 0.05 0.08 0.04 -0.03 0.10 -0.20 0.17 -0.39 0.16 0.43 -0.07 0.18 -0.21 -0.25 -0.13 -0.34 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.02 0.02 0.00 -0.03 -0.02 -0.00 0.00 0.01 0.02 0.02 -0.04 -0.01 -0.02 -0.04 0.00 -0.04 0.03 0.10 0.10 -0.18 -0.09 0.15 -0.03 0.01 -0.06 -0.02 0.10 0.17 0.21 -0.11 0.20 -0.01 0.00 -0.00 0.00 0.02 -0.02 -0.03 -0.02 0.01 -0.04 -0.17 0.15 -0.34 0.14 0.37 -0.06 -0.23 0.27 0.31 0.17 0.43 -0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.07 0.00 0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.06 -0.22 -0.18 0.41 0.16 0.27 0.40 -0.00 0.01 -0.01 -0.03 -0.03 0.06 0.03 -0.05 0.01 0.00 -0.02 -0.01 0.04 0.07 0.09 -0.04 0.08 -0.00 0.00 -0.00 -0.00 -0.21 0.19 0.30 0.17 -0.11 0.38 0.05 -0.05 0.11 -0.04 -0.11 0.02 -0.09 0.10 0.12 0.06 0.16 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 0.03 0.00 0.04 -0.08 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.41 0.90 -0.06 0.00 -0.00 -0.00 -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.03 -0.08 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.43 0.90 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 0.03 -0.02 0.00 -0.00 0.00 0.01 -0.03 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.01 0.01 0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 6 6 6 6 1 6 6 1 1 1 1 1 6 6 6 6 6 1 1 6 1 1 6 1 1 6 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 6 6 6 6 1 6 6 1 1 1 1 1 6 6 6 6 6 1 1 6 1 1 6 1 1 6 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 186.14085 1154.66104 4191.68854 4499.72135 0.99999 0.00481 -0.00233 -0.00479 0.99996 0.00761 0.00236 -0.0076 0.99997 asymmetric 1 0.07501 0.02066 0.01925 1.56301 0.43055 0.40108 730435.2 22.43 71.84 114.74 188.80 224.70 246.54 293.51 307.96 360.49 438.27 442.74 524.71 531.09 668.69 805.56 808.81 834.85 836.92 879.34 913.04 1073.44 1084.24 1085.95 1091.87 1111.84 1192.59 1227.09 1248.44 1305.73 1310.88 1350.57 1352.40 1354.33 1415.17 1419.23 1437.74 1475.48 1504.19 1526.33 1530.16 1545.58 1576.04 1683.11 1722.56 1724.65 1736.37 1765.01 1799.66 1800.34 1819.54 1823.92 1835.33 1845.67 1855.48 1875.73 1898.39 1909.27 1918.25 1942.61 1943.53 1993.30 2068.17 2072.27 2082.67 2089.94 2103.53 2112.17 2112.56 2133.44 2381.82 2535.66 4330.02 4335.69 4391.64 4397.56 4414.77 4423.78 4424.60 4426.45 4467.39 4472.58 4503.44 4506.73 4512.36 4524.26 4529.11 4532.97 4571.73 4618.03 0.278208 0.291299 0.292243 0.237605 -543.201545 -543.188453 -543.187509 -543.242148 182.793 51.652 114.997 0.000 0.000 0.000 0.889 2.981 41.570 0.889 2.981 31.455 181.016 45.690 41.972 1 0.593 1.986 7.129 2 0.595 1.978 4.820 3 0.600 1.963 3.897 4 0.612 1.922 2.928 5 0.620 1.896 2.596 6 0.626 1.878 2.421 7 0.640 1.834 2.097 8 0.644 1.820 2.009 9 0.663 1.762 1.727 10 0.696 1.665 1.391 11 0.698 1.659 1.375 12 0.738 1.545 1.102 13 0.741 1.536 1.083 14 0.822 1.328 0.752 15 0.916 1.118 0.524 16 0.918 1.113 0.520 17 0.937 1.074 0.485 18 0.938 1.071 0.482 19 0.970 1.008 0.431 0.474465e+19 18.676204 43.003549 0.284530e+05 4.454127 10.256007 0.100000e+01 0.000000 0.000000 0.998197e+08 7.999216 18.418876 0.167055e+07 6.222860 14.328665 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -1.8044 1.3393 -0.3612 2.2760 -81.6299 -84.8388 -85.7807 1.8312 -0.8078 0.5286 2.4532 -0.7556 -1.6976 1.8312 -0.8078 0.5286 10.3540 4.2566 -3.1189 -3.2996 2.4100 -1.1208 -8.3879 4.9849 0.3039 0.4021 -3021.3409 -697.0535 -451.9358 -6.3913 -3.7767 12.7211 0.0809 -1.3276 2.5592 -611.7242 -585.9679 -197.3676 1.3188 -4.0489 0.0358 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -543.4797526 0.265821 0. 0.025968 1.225E-9 8.874E-7 0.2782081 0.2912993 -543.1884533 -543.1875092 -543.2421478 1.8269275,-0.4522798,-1.3746477,-1.2486828,0.800637,0.2649949 C01 [X(C14H18)] -0.7096477 -0.4963775 0.2276123 0.0783447 -0.7940703 0.2017412 -0.0555743 -0.2641518 0.0494512 -0.2018005 -0.0911432 -0.0172942 0.2785487 0.3848402 -0.1215759 -0.0328742 0.1872061 -0.0791231 -0.0261611 0.0757978 -0.1777961 0.6652611 0.7158965 -0.2476655 -0.6501765 -0.3011203 0.0808465 0.3690294 0.131618 -0.1910046 0.0967174 -0.1104274 0.0089343 -0.0331556 -0.1254834 0.0558169 -0.0732895 -0.0497663 0.1755441 -0.0120431 -0.1023605 0.0180221 0.0208618 -0.0245499 0.0173517 0.0577769 0.0330066 0.0993439 0.1629835 -0.0076684 0.0609325 0.6914601 0.3274295 -0.1815097 -0.0513428 -0.0795556 -0.1131506 -0.1021956 -0.048959 -0.0018495 -0.2149457 -0.0622818 0.0497216 -0.0077473 0.0043497 0.1720492 -0.0242298 0.105368 -0.0501072 0.0834874 -0.02257 0.0549838 -0.0708988 0.0917523 -0.00252 -0.0423765 0.115012 0.0208247 -0.0211156 0.0316358 -0.0553082 0.1008077 -0.106628 -0.1038366 -0.0470679 -0.0674717 0.0061819 -0.1175967 -0.1005269 0.0574735 0.0093934 0.0485711 0.0909606 -0.0123351 -0.0328169 0.0006964 0.1191679 0.056137 -0.0225179 -0.1491003 -0.0664236 -0.1459228 -0.217994 -0.0384111 0.0381733 0.0786194 0.0832525 -0.0072919 0.0296076 0.0032465 0.0483439 -2.4761048 -0.0633461 0.1065688 0.3324392 -0.1081848 -0.0397958 0.0664838 -0.0363542 -0.1970108 0.3033513 0.001937 -0.0133054 -0.1885195 0.1333698 -0.0283772 0.0448532 -0.0317961 0.0123819 0.4513413 0.0683608 -0.0048965 0.113904 0.0318239 0.0863664 0.0904933 0.074466 0.1055037 0.4239838 0.0611568 -0.0540223 0.0192314 -0.0333791 -0.0063643 -0.1795259 0.0202142 0.1797546 0.1530292 0.0898808 -0.0249889 0.1780465 0.0972325 -0.0169431 -0.0632672 -0.0185319 0.0677368 0.0425598 0.0491702 -0.063148 -0.0497397 0.0184064 0.0331695 -0.0647274 0.0571092 -0.0657171 0.0607411 0.0589007 0.0250979 -0.0194386 -0.0465862 -0.0498576 0.0653935 -0.0861035 -0.0144759 0.1391505 -0.034426 -0.0602239 -0.1816325 0.0484488 0.0226593 -0.1127458 -0.0307014 0.0687775 0.0643692 0.0218216 -0.0667518 0.0860684 0.0558298 0.0403489 -0.0270032 0.0056541 -0.0874084 0.0041932 -0.0734937 -0.0041572 -0.0044955 -0.0155893 -0.0003099 0.1426136 0.0691585 0.0253575 0.1676783 -0.0050499 0.0601119 -0.0915461 0.0616951 -0.0120741 0.1680941 0.0387393 0.0388914 0.0667402 0.0468607 0.0372401 0.0760611 -0.0066192 -0.1025509 -0.035248 -0.0571372 -0.0352851 -0.0142062 -0.0660851 0.0509536 -0.0580188 -0.0297693 0.0413013 -0.1168147 -0.0237814 0.0511243 -0.0654372 -0.2786958 0.0848459 -0.081343 0.1628279 0.0091331 0.0364856 0.0222423 0.1660134 -0.0464581 -0.0602695 -0.0339961 -0.1282106 -0.03675 -0.0429131 -0.0890458 -0.0975398 -0.0074568 -0.0195334 -0.0195582 0.0488746 -0.0516383 0.0384587 0.0158296 0.1374096 0.0678023 -0.1056704 -0.0190652 0.0130351 0.0609203 0.0020135 0.0602617 0.0527894 0.1415771 0.0036415 -0.1082622 -0.0051035 0.052423 0.0008119 0.1338612 -0.1057081 0.0016523 -0.0147109 0.0709222 0.0456737 -0.0402861 -0.0273313 -0.0600296 -0.0852648 -0.0135226 -0.1021232 -0.1204547 -0.0579397 -0.01541 -0.0145572 0.0457776 -0.0242134 0.130064 -0.0972228 0.078165 -0.0561349 0.0151102 0.0407653 246.635238|18.3371067|148.3680118|-5.3892204|-6.9805927|114.1501011 0.000000039 -0.000000510 -0.000000156 -0.000000678 -0.000000947 -0.000000406 0.000000495 -0.000000841 0.000000133 -0.000000538 -0.000001697 -0.000000523 -0.000001008 -0.000000751 -0.000000594 0.000000668 -0.000001471 0.000000048 0.000000178 -0.000002019 -0.000000256 -0.000000837 -0.000002077 -0.000000689 -0.000000812 -0.000001629 -0.000000609 0.000001152 -0.000001633 0.000000218 0.000000366 -0.000002296 -0.000000228 0.000000170 -0.000002448 -0.000000330 0.000000044 0.000000420 0.000000058 -0.000000714 0.000000471 -0.000000218 0.000000627 0.000000296 0.000000353 -0.000000030 0.000000903 0.000000158 -0.000000603 0.000001283 -0.000000060 -0.000000782 0.000000055 -0.000000303 -0.000001131 0.000000506 -0.000000387 0.000000691 0.000001000 0.000000429 0.000000553 -0.000000192 0.000000213 0.000001071 0.000000045 0.000000451 0.000000224 0.000001640 0.000000324 -0.000000361 0.000000839 -0.000000013 0.000000561 0.000000657 0.000000339 0.000000077 0.000001242 0.000000287 -0.000000987 0.000001701 -0.000000147 -0.000000607 0.000001258 -0.000000044 0.000000664 0.000001019 0.000000464 0.000001176 0.000001272 0.000000709 -0.000000281 0.000002032 0.000000214 0.000000613 0.000001869 0.000000568 168.14979999999997 AuxInfo=1/0/N:1;2;3;4;6;7;13;14;15;16;17;20;23;26;5;8;9;10;11;12;18;19;21;22;24;25;27;28;29;30;31;32/rA:32nC0C0C0C0H0C0C0H0H0H0H0H0C0C0C0C0C0H0H0C0H0H0C0H0H0C0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.1943,-.114,-.1329;1.8178,-1.2629,.1212;1.7411,1.0671,-.4381;3.3457,-1.164,.0402;1.3594,-2.2434,.2679;3.0362,1.3643,-.338;3.9043,.2521,.267;3.8065,-1.8592,.759;3.6409,-1.5249,-.965;3.4945,2.3321,-.5674;3.9865,.4471,1.3545;4.9305,.3067,-.1286;-.9325,-.0733,-.0183;-1.2131,-1.5337,.4086;-.9672,1.0488,1.0519;-1.1318,.3361,-1.5002;-2.7501,-1.3693,.4826;-.7318,-1.7883,1.3647;-.8747,-2.2581,-.3471;-2.5081,1.1855,1.0944;-.503,.7339,1.9991;-.4285,1.9399,.6889;-2.6741,.4521,-1.4284;-.7536,-.4243,-2.2004;-.6006,1.2799,-1.706;-2.638,.0884,.0484;-3.3185,-1.9992,-.2176;-3.1795,-1.4977,1.4873;-2.9685,.9327,2.0608;-2.896,2.1621,.7698;-3.2184,-.2764,-2.0472;-3.0772,1.4541,-1.6364;