Gaussian 16 GINC-C151414 ANFRY Original File: 2_3 ES64L-G16RevC.02 24-Sep-2025 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 21 21 (5D, 7F) 6-311+G(d,p) RB3LYP 6-311+G(d,p) FOpt # opt freq b3lyp/6-311+g(d,p) nosymm pop=(mk,dipole) int=grid=ultrafine scf=xqc 346.1001319999998 -1 1 AuxInfo=1/0/N:5;6;7;13;14;9;10;11;12;15;16;17;18;19;20;2;3;4;8;1;21/rA:21nS0O0O0O0C0C0C0O0F0F0F0F0C0C0F0F0F0F0F0F0H0/rB:;;;;;;;;;;;;;;;;;;;;/rC:-5.7948,.4643,1.2456;-6.5238,.9861,2.3749;-5.0135,-.717,1.5679;-6.4697,.4465,-.0196;-4.4304,1.7639,1.0178;-3.5488,1.7523,2.2581;-4.1865,1.2762,4.5153;-4.3197,2.0244,3.3619;-4.9803,2.9847,.8467;-3.6891,1.5129,-.0852;-2.8903,.5895,2.3519;-2.8737,1.2459,4.9114;-4.9246,2.0947,5.6111;-4.7081,-.1893,4.4181;-2.5519,2.6895,2.209;-4.8338,1.4939,6.8021;-6.2031,2.3049,5.3609;-3.8264,-1.0005,5.049;-5.861,-.3121,5.1069;-4.3457,3.2917,5.7534;-4.8586,-.5245,3.3706; g16 Output=./2_3.log nosave mem=4500mb nproc=8 # opt freq b3lyp/6-311+g(d,p) nosymm pop=(mk,dipole) int=grid=ultrafin 1/18=20,19=15,26=4,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,75=-5/1,2,3 4//1 5/5=2,8=3,13=1,38=5/2,8 6/7=2,8=2,9=2,10=2,15=24,20=1,28=1/1,2 7/30=1/1,2,3,16 1/18=20,19=15,26=4/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,75=-5/1,2,3 4/5=5,16=3,69=1/1 5/5=2,8=3,13=1,38=5/2,8 7/30=1/1,2,3,16 1/18=20,19=15,26=4/3(-5) 2/9=110,15=1/2 6/7=2,8=2,9=2,10=2,15=24,19=2,20=1,28=1/1,2 99/9=1/99 Original File: 2_3 Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 1 1 1 1 5 5 5 6 6 6 7 7 7 7 13 13 13 14 14 14 2 3 4 5 6 9 10 8 11 15 8 12 13 14 16 17 20 18 19 21 1.4419 1.4525 1.4341 1.898 1.5218 1.3499 1.3524 1.3736 1.3396 1.3691 1.3812 1.3716 1.5542 1.5586 1.337 1.3195 1.3373 1.354 1.3486 1.1101 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 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 2 2 2 3 3 4 1 1 1 6 6 9 5 5 5 8 8 11 8 8 8 12 12 13 6 7 7 7 16 16 17 7 7 7 18 18 19 1 1 1 1 1 1 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 13 13 13 13 13 13 14 14 14 14 14 14 3 4 5 4 5 5 6 9 10 9 10 10 8 11 15 11 15 15 12 13 14 13 14 14 7 16 17 20 17 20 20 18 19 21 19 21 21 113.1109 117.2261 102.1039 116.0255 101.3528 103.9427 108.2664 109.9737 111.3975 110.2552 110.2279 106.7266 109.167 110.3897 112.7927 113.0512 107.5717 103.8155 110.2054 104.9334 115.1532 105.2218 108.5132 112.3471 120.6397 111.0491 114.2276 109.9287 107.8391 106.1349 107.2777 108.4435 109.865 112.8366 105.3182 110.3095 109.7887 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 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 2 2 2 3 3 3 4 4 4 1 1 1 9 9 9 10 10 10 5 11 15 12 13 14 8 8 8 12 12 12 14 14 14 8 8 8 12 12 12 13 13 13 1 1 1 1 1 1 1 1 1 5 5 5 5 5 5 5 5 5 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 8 8 8 8 8 8 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 6 9 10 6 9 10 6 9 10 8 11 15 8 11 15 8 11 15 7 7 7 6 6 6 16 17 20 16 17 20 16 17 20 18 19 21 18 19 21 18 19 21 63.905 -56.6169 -174.7364 -52.9995 -173.5214 68.3591 -173.7273 65.7508 -52.3686 -58.6085 66.242 -178.13 61.738 -173.4115 -57.7836 179.3135 -55.836 59.792 134.857 11.5746 -102.4403 53.0388 165.8509 -70.0958 -178.0245 59.7581 -60.878 -61.7274 176.0553 55.4191 56.1544 -66.063 173.3008 138.3777 -107.0024 15.8679 14.3476 128.9676 -108.1622 -101.5665 13.0535 135.9237 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 21 1.00e+00 60 F Berny optimization. local minimum Step number 18 out of a maximum of 109 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00076 0.00194 0.00527 0.00756 0.01198 0.03007 0.04716 0.05164 0.06221 0.07025 0.07075 0.08014 0.08299 0.08626 0.08812 0.09629 0.10790 0.11090 0.11776 0.14147 0.16385 0.17813 0.18672 0.19267 0.19678 0.21941 0.22031 0.22887 0.23938 0.24135 0.24887 0.25463 0.25705 0.25866 0.26551 0.26973 0.27607 0.27952 0.30033 0.30459 0.32939 0.40022 0.45701 0.47754 0.50257 0.51890 0.54410 0.54796 0.55698 0.56246 0.57988 0.58492 0.61714 0.74885 0.78640 0.97183 1.01455 -2.94688245e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 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 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 2.77954 2.80786 2.77613 3.62149 2.93973 2.56556 2.56943 2.61244 2.55242 2.57923 2.62964 2.59441 2.95129 2.96714 2.54554 2.51330 2.54226 2.58025 2.57681 2.06297 2.00031 2.03154 1.80113 2.01097 1.77523 1.79327 2.01407 1.91718 1.91916 1.87952 1.85320 1.87496 1.92093 1.92719 1.90806 1.95975 1.89509 1.85081 1.94845 1.82991 1.94391 1.83861 1.90242 1.99803 2.12760 1.91663 1.97181 1.91108 1.89998 1.87561 1.88607 1.90985 1.90487 1.94362 1.87151 1.93533 1.89698 1.41722 -0.71094 -2.77085 -0.66044 -2.78860 1.43468 -2.74684 1.40819 -0.65172 -0.95955 1.21379 -3.03960 1.18869 -2.92116 -0.89136 -3.09040 -0.91707 1.11273 2.55243 0.39798 -1.64280 0.74614 2.72810 -1.38494 3.06957 0.94489 -1.15808 -1.15544 3.00306 0.90010 0.93423 -1.19046 2.98977 2.57740 -1.66276 0.43157 0.41993 2.46295 -1.72590 -1.63370 0.40932 2.50365 0.00001 0.00001 0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00002 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00001 0.00000 0.00001 -0.00002 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00002 -0.00003 -0.00002 -0.00002 -0.00003 -0.00002 -0.00002 -0.00003 -0.00003 -0.00001 -0.00002 -0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00002 -0.00001 -0.00002 0.00002 0.00003 0.00003 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 0.00001 0.00001 0.00001 -0.00006 -0.00006 -0.00006 -0.00005 -0.00005 -0.00005 -0.00006 -0.00006 -0.00006 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00000 0.00002 0.00002 -0.00002 -0.00001 -0.00003 0.00002 -0.00000 0.00002 -0.00001 0.00002 -0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00002 0.00002 0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00002 -0.00002 0.00002 -0.00001 -0.00003 -0.00000 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00001 0.00000 -0.00001 -0.00001 0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00001 0.00000 0.00002 0.00000 -0.00000 0.00001 -0.00003 -0.00003 -0.00003 0.00006 0.00003 0.00003 0.00003 0.00004 0.00004 0.00001 0.00002 0.00002 0.00001 0.00002 0.00002 0.00002 0.00002 -0.00000 0.00001 0.00001 -0.00002 0.00003 0.00002 0.00000 0.00001 0.00002 0.00002 -0.00002 -0.00001 -0.00000 0.00002 0.00002 -0.00002 -0.00002 -0.00003 0.00001 -0.00001 0.00003 -0.00001 0.00002 -0.00001 -0.00002 0.00001 0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00002 -0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00002 -0.00001 -0.00003 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00002 -0.00002 -0.00003 -0.00003 -0.00002 -0.00003 -0.00003 -0.00001 -0.00003 -0.00003 -0.00001 -0.00002 -0.00000 0.00002 0.00000 0.00002 0.00000 -0.00001 0.00000 -0.00005 -0.00004 -0.00005 0.00008 0.00006 0.00006 0.00003 0.00003 0.00003 0.00001 0.00002 0.00002 0.00002 0.00003 0.00003 -0.00004 -0.00004 -0.00006 -0.00004 -0.00004 -0.00007 -0.00003 -0.00003 -0.00006 2.77955 2.80788 2.77615 3.62148 2.93972 2.56556 2.56945 2.61246 2.55240 2.57921 2.62961 2.59441 2.95129 2.96717 2.54553 2.51332 2.54225 2.58024 2.57682 2.06298 2.00030 2.03154 1.80114 2.01097 1.77523 1.79327 2.01407 1.91719 1.91916 1.87952 1.85319 1.87495 1.92092 1.92720 1.90807 1.95974 1.89509 1.85081 1.94844 1.82992 1.94391 1.83860 1.90244 1.99803 2.12757 1.91663 1.97181 1.91109 1.89998 1.87562 1.88607 1.90987 1.90485 1.94362 1.87151 1.93535 1.89696 1.41720 -0.71097 -2.77088 -0.66045 -2.78863 1.43465 -2.74685 1.40816 -0.65175 -0.95956 1.21377 -3.03961 1.18871 -2.92115 -0.89134 -3.09040 -0.91708 1.11273 2.55238 0.39793 -1.64285 0.74622 2.72816 -1.38488 3.06960 0.94492 -1.15804 -1.15542 3.00308 0.90012 0.93425 -1.19043 2.98980 2.57736 -1.66280 0.43151 0.41989 2.46291 -1.72597 -1.63374 0.40929 2.50359 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000018 0.000004 0.000220 0.000052 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.761902e-09 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 1 1 1 1 5 5 5 6 6 6 7 7 7 7 13 13 13 14 14 14 2 3 4 5 6 9 10 8 11 15 8 12 13 14 16 17 20 18 19 21 1.4709 1.4859 1.4691 1.9164 1.5556 1.3576 1.3597 1.3824 1.3507 1.3649 1.3915 1.3729 1.5618 1.5701 1.347 1.33 1.3453 1.3654 1.3636 1.0917 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 2 3 3 4 1 1 1 6 6 9 5 5 5 8 8 11 8 8 8 12 12 13 6 7 7 7 16 16 17 7 7 7 18 18 19 1 1 1 1 1 1 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 13 13 13 13 13 13 14 14 14 14 14 14 3 4 5 4 5 5 6 9 10 9 10 10 8 11 15 11 15 15 12 13 14 13 14 14 7 16 17 20 17 20 20 18 19 21 19 21 21 114.6092 116.3989 103.1972 115.2203 101.7129 102.7468 115.3979 109.846 109.9599 107.6884 106.1806 107.4275 110.0613 110.4197 109.324 112.2853 108.5807 106.0435 111.6377 104.8463 111.3778 105.3448 109.0009 114.479 121.9027 109.8149 112.9766 109.4969 108.861 107.4645 108.0638 109.4265 109.1408 111.3611 107.2297 110.8865 108.6889 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 2 3 3 3 4 4 4 1 1 1 9 9 9 10 10 10 5 11 15 12 13 14 8 8 8 12 12 12 14 14 14 8 8 8 12 12 12 13 13 1 1 1 1 1 1 1 1 1 5 5 5 5 5 5 5 5 5 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 8 8 8 8 8 8 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 6 9 10 6 9 10 6 9 10 8 11 15 8 11 15 8 11 15 7 7 7 6 6 6 16 17 20 16 17 20 16 17 20 18 19 21 18 19 21 18 19 81.2008 -40.7339 -158.7577 -37.8403 -159.7749 82.2012 -157.3821 80.6833 -37.3406 -54.978 69.5449 -174.1563 68.1071 -167.37 -51.0712 -177.067 -52.5441 63.7547 146.2432 22.8024 -94.1255 42.7506 156.3084 -79.3514 175.8735 54.138 -66.3528 -66.2016 172.0628 51.572 53.5273 -68.2082 171.3009 147.674 -95.2694 24.7272 24.0602 141.1167 -98.8867 -93.6043 23.4523 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 346.1001319999998 AuxInfo=1/0/N:5;6;7;13;14;9;10;11;12;15;16;17;18;19;20;2;3;4;8;1;21/rA:21nS0O0O0O0C0C0C0O0F0F0F0F0C0C0F0F0F0F0F0F0H0/rB:;;;;;;;;;;;;;;;;;;;;/rC:-5.7948,.4643,1.2456;-6.5238,.9862,2.3749;-5.0135,-.717,1.5679;-6.4697,.4465,-.0196;-4.4304,1.7639,1.0178;-3.5488,1.7523,2.2581;-4.1865,1.2762,4.5153;-4.3197,2.0244,3.3619;-4.9803,2.9847,.8467;-3.6891,1.5128,-.0852;-2.8903,.5895,2.3519;-2.8737,1.2459,4.9114;-4.9246,2.0947,5.6111;-4.7081,-.1893,4.4181;-2.5519,2.6895,2.209;-4.8338,1.4939,6.8021;-6.2031,2.3049,5.3609;-3.8264,-1.0005,5.049;-5.861,-.3121,5.1069;-4.3457,3.2917,5.7535;-4.8586,-.5245,3.3706; 0.000000 1.441909 0.000000 1.452541 2.415192 0.000000 1.434084 2.455151 2.448356 0.000000 1.897981 2.613261 2.607219 2.640189 0.000000 2.780075 3.074363 2.952918 3.927511 1.521797 0.000000 3.733155 3.182504 3.652952 5.144568 3.539754 2.393372 0.000000 3.014725 2.628776 3.348941 4.306645 2.361168 1.373563 1.381225 0.000000 2.678588 2.951627 3.771501 3.067787 1.349879 2.358051 4.124063 2.772213 0.000000 2.702660 3.790140 3.075570 2.978830 1.352427 2.359689 4.633331 3.541440 2.168427 0.000000 3.110582 3.655205 2.613385 4.296151 2.351812 1.339632 2.613824 2.263241 3.517276 2.725817 0.000000 4.752048 4.452519 4.428467 6.155128 4.225175 2.784276 1.371635 2.257843 4.897310 5.069740 2.642421 0.000000 4.740524 3.776118 4.925553 6.066985 4.631644 3.640406 1.554186 2.330163 4.847145 5.857687 4.126319 2.327295 0.000000 3.416602 2.975488 2.914734 4.816757 3.931232 3.127256 1.558603 2.483357 4.785822 4.920938 2.860112 2.380808 2.585880 0.000000 4.049205 4.324964 4.251498 5.034626 2.409282 1.369114 3.160441 2.212833 2.800103 2.818000 2.131911 3.080671 4.190207 4.221031 0.000000 5.732225 4.765954 5.684881 7.092896 5.804653 4.729242 2.386602 3.518599 6.140929 6.981786 4.939586 2.734599 1.337038 2.921063 5.266189 0.000000 4.526606 3.279978 4.993428 5.698650 4.722054 4.120425 2.416569 2.760761 4.726026 6.050391 4.792850 3.522539 1.319534 3.057003 4.838736 2.147042 0.000000 4.526172 4.286455 3.688896 5.896765 4.925190 3.929919 2.365974 3.498504 5.905353 5.718033 3.267854 2.443959 3.331970 1.353994 4.827645 3.210953 4.083082 0.000000 3.939130 3.096530 3.661534 5.217937 4.803859 4.209948 2.382521 3.298434 5.458371 5.916517 4.150653 3.374829 2.631230 1.348586 5.325163 2.681539 2.651466 2.148664 0.000000 5.514947 4.634057 5.833948 6.777530 4.976750 3.901546 2.370789 2.706694 4.957170 6.138818 4.581568 2.657249 1.337279 3.745936 4.017884 2.137698 2.139546 4.380486 3.962487 0.000000 2.523883 2.458987 1.819590 3.877138 3.309983 2.852606 2.237079 2.605280 4.324337 4.178656 2.480524 3.073819 3.447358 1.110087 4.123128 3.981206 3.711434 2.027064 2.016095 4.528195 0.000000 0.5183797 0.2644264 0.2416661 -24.61514 -24.60965 -24.60474 -24.60411 -24.59517 -24.59494 -19.10367 -18.97655 -18.97604 -18.97255 -10.35296 -10.32500 -10.27272 -10.25488 -10.23900 -7.98882 -5.95118 -5.95110 -5.95093 -1.25403 -1.21384 -1.18070 -1.17793 -1.16379 -1.15756 -1.15320 -1.13150 -1.11840 -1.11013 -1.02860 -1.01952 -0.88232 -0.87639 -0.74492 -0.67795 -0.63437 -0.60234 -0.56937 -0.54091 -0.53039 -0.52913 -0.51447 -0.50998 -0.50634 -0.48093 -0.47381 -0.46602 -0.45881 -0.45486 -0.41576 -0.40624 -0.39922 -0.39710 -0.38649 -0.37184 -0.36722 -0.36122 -0.35857 -0.35452 -0.35108 -0.34755 -0.34275 -0.33643 -0.33476 -0.33414 -0.33027 -0.32716 -0.32009 -0.31648 -0.31024 -0.30444 -0.29624 -0.27789 -0.25136 -0.22389 -0.21323 -0.19123 -0.18667 -0.17302 -0.14342 0.10597 0.11790 0.12293 0.12619 0.14403 0.15076 0.15231 0.15629 0.16668 0.16743 0.17009 0.17856 0.18550 0.19362 0.19588 0.20179 0.20340 0.20879 0.21386 0.21828 0.22490 0.23419 0.23578 0.24151 0.24569 0.25012 0.25806 0.25951 0.26498 0.27084 0.28062 0.29692 0.29771 0.30181 0.30910 0.31453 0.32464 0.32595 0.33694 0.33880 0.34435 0.35215 0.35432 0.36692 0.36851 0.37287 0.37861 0.38046 0.38159 0.38681 0.39092 0.39666 0.39877 0.40767 0.41156 0.41566 0.41733 0.41979 0.42309 0.43040 0.43298 0.43796 0.44418 0.44843 0.45090 0.45362 0.45978 0.46031 0.46436 0.47606 0.47703 0.48557 0.48955 0.49341 0.49573 0.50190 0.50530 0.50718 0.51339 0.52198 0.52362 0.52872 0.53025 0.53820 0.54333 0.55313 0.55694 0.57138 0.57313 0.57982 0.58291 0.59559 0.60011 0.60603 0.61280 0.62474 0.64028 0.65389 0.66155 0.67320 0.68922 0.70244 0.71737 0.72014 0.72878 0.75515 0.77806 0.78854 0.81722 0.82381 0.82909 0.84853 0.85124 0.86534 0.87332 0.89277 0.92192 0.93435 0.96581 0.98680 1.01216 1.02133 1.05469 1.10260 1.11535 1.13498 1.16988 1.17916 1.19807 1.20890 1.22172 1.23302 1.25750 1.27769 1.28588 1.30325 1.30630 1.31059 1.34172 1.34496 1.35597 1.38002 1.39771 1.40190 1.43163 1.45551 1.46859 1.47732 1.47909 1.49084 1.49816 1.51012 1.51354 1.52212 1.52808 1.53603 1.54616 1.55827 1.56442 1.56497 1.57076 1.58059 1.58210 1.58978 1.59519 1.59820 1.60681 1.61078 1.61496 1.62059 1.62924 1.64448 1.64483 1.65217 1.66086 1.67171 1.68137 1.69103 1.69983 1.71169 1.72796 1.74289 1.76909 1.78044 1.79183 1.81497 1.82810 1.85642 1.87992 1.89425 1.93448 1.95835 1.97372 1.98990 2.00739 2.02653 2.04024 2.05558 2.05994 2.06762 2.07927 2.10138 2.11680 2.13568 2.15124 2.17456 2.17941 2.19359 2.23331 2.24956 2.28288 2.30891 2.33659 2.35465 2.45093 2.49428 2.66845 2.86393 2.88171 2.89916 2.92975 2.94062 2.95455 2.96372 2.96984 2.98313 3.00299 3.00764 3.02644 3.04176 3.04804 3.05761 3.07242 3.09164 3.10023 3.13299 3.14307 3.14747 3.16462 3.23617 3.25575 3.32185 3.33148 3.35628 3.37928 3.46063 3.57144 3.59046 3.68618 3.77136 3.78758 3.79308 3.83079 3.83697 3.84486 3.86155 3.86349 3.86617 3.86814 3.87278 3.87531 3.87944 3.88183 3.89592 3.89924 3.90971 3.91280 3.91582 3.91989 3.92437 3.93968 3.94476 3.95165 3.95506 3.98546 3.99203 4.01261 4.03445 4.07394 4.09261 4.10515 4.13109 4.16367 4.19001 4.20311 4.24481 4.24960 4.27987 4.29296 4.30544 4.31167 4.33427 4.41869 4.69123 4.70903 4.86128 4.91965 4.97293 5.02987 5.03989 5.04359 5.05613 5.07676 5.15747 5.19354 5.20842 5.23014 5.24377 5.25918 5.31504 5.38453 5.47970 5.50754 5.53538 5.81220 6.38568 6.41833 6.42003 6.44145 6.45574 6.46939 6.47330 6.48805 6.49762 6.50150 6.50371 6.51856 6.53113 6.53964 6.55141 6.56104 6.56666 6.57521 6.58835 6.59491 6.62193 6.63926 6.67320 6.71906 6.78270 6.83887 6.84739 6.88254 6.90359 6.91531 8.39801 17.52469 17.62340 17.74021 23.60069 23.64522 23.72529 23.75878 23.81919 50.01480 50.03652 50.06312 50.10993 66.85261 66.85606 66.87192 66.88898 66.89780 66.90980 66.91703 66.92580 66.93548 66.95907 189.51126 25.6115 -3.3791 -10.5464 27.9033 -268.7291 -131.5399 -169.0653 16.9800 50.0487 -8.8546 -78.9510 58.2382 20.7128 16.9800 50.0487 -8.8546 2600.1810 -443.0461 -1358.9079 611.7950 -239.8467 -634.2174 792.0053 -179.1434 -402.7358 41.9738 -22620.0514 -2072.0652 -11224.5222 2502.8123 6624.9543 1955.8870 -1433.4767 6253.3254 -1552.5778 -3370.6390 -5623.0696 -2121.1448 -682.1746 1838.1296 801.6892 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 346.1001319999998 AuxInfo=1/0/N:5;6;7;13;14;9;10;11;12;15;16;17;18;19;20;2;3;4;8;1;21/rA:21nS0O0O0O0C0C0C0O0F0F0F0F0C0C0F0F0F0F0F0F0H0/rB:;;;;;;;;;;;;;;;;;;;;/rC:-5.9762,.55,.7474;-6.893,.9083,1.8184;-5.3714,-.7749,.908;-6.4156,.8556,-.5974;-4.4862,1.7362,.9945;-3.6255,1.6243,2.2883;-4.1236,1.2451,4.6693;-4.3353,1.8808,3.4479;-4.9486,3.0077,.9433;-3.6413,1.5848,-.0541;-2.9448,.4653,2.3349;-2.8029,1.3643,5.0341;-4.8958,2.1487,5.6796;-4.5265,-.269,4.7806;-2.6537,2.5907,2.2321;-4.7274,1.6934,6.9322;-6.1947,2.2332,5.4276;-3.5559,-.9222,5.4796;-5.6632,-.3892,5.5137;-4.3871,3.3928,5.643;-4.6649,-.7482,3.8048; 0.000000 1.454556 0.000000 1.465214 2.444837 0.000000 1.447426 2.463022 2.452557 0.000000 1.920587 2.675265 2.664024 2.651916 0.000000 3.008999 3.377828 3.272534 4.086860 1.557836 0.000000 4.392774 3.988834 4.448041 5.757006 3.725126 2.461977 0.000000 3.428707 3.184768 3.818017 4.662924 2.462212 1.383578 1.393125 0.000000 2.671116 2.992285 3.806336 3.026120 1.353944 2.339499 4.203640 2.814080 0.000000 2.676801 3.812773 3.080135 2.919533 1.355122 2.342765 4.760137 3.582351 2.174505 0.000000 3.423018 4.006451 3.076170 4.560445 2.405790 1.344996 2.728965 2.275078 3.523647 2.728766 0.000000 5.395225 5.222793 5.310216 6.709989 4.391975 2.878173 1.375326 2.265163 4.902976 5.161536 2.848510 0.000000 5.296217 4.520730 5.616258 6.586588 4.721016 3.659220 1.559930 2.316595 4.813902 5.896402 4.222246 2.326324 0.000000 4.363372 3.970052 3.995920 5.810038 4.284502 3.257026 1.570697 2.536565 5.063587 5.253102 3.003762 2.388036 2.605661 0.000000 4.172355 4.579714 4.524068 5.016889 2.370604 1.371761 3.148269 2.193209 2.664907 2.685924 2.147796 3.062267 4.136175 4.263875 0.000000 6.412396 5.608746 6.542099 7.761918 5.942750 4.773413 2.384605 3.511356 6.135454 7.071114 5.081478 2.723010 1.343368 2.918998 5.215069 0.000000 4.978415 3.907598 5.491189 6.184393 4.776815 4.102044 2.416750 2.738755 4.718201 6.081879 4.822058 3.523338 1.325896 3.076045 4.783104 2.169892 0.000000 5.515275 5.281226 4.921110 6.947513 5.296029 4.083366 2.382401 3.548479 6.161277 6.075704 3.491033 2.448177 3.356367 1.362819 4.868337 3.213051 4.113651 0.000000 4.867932 4.105012 4.631005 6.281755 5.130792 4.313836 2.398729 3.344130 5.739112 6.243771 4.268972 3.389066 2.656513 1.357841 5.357764 2.687951 2.677038 2.173896 0.000000 5.879958 5.203880 6.384312 7.035279 4.935832 3.868082 2.372800 2.666009 4.748795 6.023495 4.646978 2.644804 1.344596 3.764528 3.909286 2.160065 2.158401 4.397328 3.993538 0.000000 3.571053 3.413897 2.981871 5.001666 3.755237 3.001460 2.239084 2.673466 4.730274 4.624049 2.567413 3.072568 3.458351 1.095933 4.203179 3.968144 3.723239 2.016152 2.011418 4.539173 0.000000 0.5108245 0.2241946 0.2115652 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 346.1001319999998 AuxInfo=1/0/N:5;6;7;13;14;9;10;11;12;15;16;17;18;19;20;2;3;4;8;1;21/rA:21nS0O0O0O0C0C0C0O0F0F0F0F0C0C0F0F0F0F0F0F0H0/rB:;;;;;;;;;;;;;;;;;;;;/rC:-5.8672,.3801,1.0504;-6.7887,.8674,2.0836;-5.1345,-.8457,1.4277;-6.3455,.4376,-.3292;-4.4756,1.7023,1.0453;-3.547,1.83,2.2972;-4.1402,1.2734,4.6081;-4.2649,2.0514,3.4614;-5.0568,2.9203,.8851;-3.6477,1.4429,.0004;-2.7781,.7277,2.4219;-2.819,1.1766,4.9863;-4.8386,2.1311,5.716;-4.7243,-.1846,4.464;-2.6926,2.8897,2.1087;-4.7586,1.4949,6.9017;-6.1152,2.3897,5.4441;-3.8569,-1.0723,5.0371;-5.8987,-.2813,5.1494;-4.1865,3.3045,5.8439;-4.8974,-.4576,3.4248; 0.000000 1.467678 0.000000 1.477034 2.470049 0.000000 1.461285 2.490516 2.489954 0.000000 1.919594 2.669349 2.659427 2.642915 0.000000 3.006664 3.388329 3.230406 4.082624 1.563886 0.000000 4.054308 3.681355 3.948901 5.471577 3.604117 2.449892 0.000000 3.342690 3.109636 3.644886 4.615369 2.450255 1.385564 1.391283 0.000000 2.671485 2.941154 3.805647 3.049386 1.359007 2.337102 4.172905 2.831890 0.000000 2.675552 3.812745 3.079886 2.897812 1.358175 2.331349 4.637033 3.567890 2.225025 0.000000 3.397701 4.027267 3.002796 4.514266 2.392954 1.349742 2.632958 2.245703 3.515868 2.670448 0.000000 5.041598 4.927499 4.702707 6.421612 4.307259 2.861582 1.377695 2.276236 4.986833 5.061377 2.603791 0.000000 5.088402 4.312102 5.228614 6.456227 4.704362 3.667068 1.565578 2.327826 4.899841 5.878804 4.131164 2.349962 0.000000 3.643865 3.321875 3.134426 5.098055 3.912757 3.184312 1.577190 2.493146 4.749693 4.871549 2.964861 2.399147 2.634931 0.000000 4.182835 4.568144 4.514390 5.029829 2.391598 1.374189 3.309775 2.237058 2.662190 2.729538 2.186212 3.351321 4.265340 4.373356 0.000000 6.058841 5.265857 5.965295 7.478096 5.866903 4.773077 2.385884 3.519828 6.190361 6.990383 4.957849 2.744501 1.347955 2.960461 5.402452 0.000000 4.837810 3.750168 5.249840 6.098710 4.744500 4.100297 2.417865 2.733043 4.710289 6.051402 4.799241 3.542119 1.330673 3.085788 4.805116 2.183034 0.000000 4.695136 4.591394 3.835565 6.104903 4.900559 4.003332 2.401318 3.522278 5.883842 5.633721 3.353128 2.477383 3.418492 1.367026 5.062446 3.298541 4.153398 0.000000 4.152075 3.392716 3.841004 5.543548 4.775250 4.257128 2.408812 3.310582 5.398442 5.878105 4.265630 3.411277 2.695276 1.363191 5.438708 2.743267 2.695881 2.192506 0.000000 5.861303 5.181790 6.134009 7.140555 5.067295 3.893944 2.378052 2.693137 5.049291 6.156550 4.509342 2.670893 1.348513 3.790403 4.044206 2.172734 2.171834 4.462722 4.033859 0.000000 2.698146 2.670481 2.048257 4.121998 3.241165 2.885902 2.229286 2.587745 4.229168 4.111051 2.627262 3.070661 3.457504 1.088322 4.218727 3.990048 3.696966 2.014927 2.001919 4.528912 0.000000 0.5004980 0.2488425 0.2246832 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 346.1001319999998 AuxInfo=1/0/N:5;6;7;13;14;9;10;11;12;15;16;17;18;19;20;2;3;4;8;1;21/rA:21nS0O0O0O0C0C0C0O0F0F0F0F0C0C0F0F0F0F0F0F0H0/rB:;;;;;;;;;;;;;;;;;;;;/rC:-5.9781,.514,1.0575;-6.8947,1.1692,2.005;-5.3695,-.7374,1.5657;-6.3783,.5125,-.3527;-4.4794,1.7016,1.0362;-3.5487,1.7414,2.2881;-4.1041,1.2711,4.6297;-4.2536,1.9962,3.4533;-4.9291,2.9712,.8456;-3.6751,1.3764,-.0099;-2.8219,.6059,2.3749;-2.8018,1.309,5.0728;-4.9148,2.1053,5.677;-4.5549,-.2365,4.5044;-2.6685,2.7725,2.1149;-4.8446,1.5143,6.8856;-6.1933,2.2535,5.3407;-3.6611,-1.0279,5.1679;-5.7677,-.4015,5.1062;-4.3688,3.3312,5.7966;-4.6259,-.5637,3.4684; 0.000000 1.472171 0.000000 1.481412 2.480781 0.000000 1.465800 2.501284 2.501953 0.000000 1.912383 2.656285 2.649846 2.636088 0.000000 2.987118 3.406332 3.159379 4.060811 1.560408 0.000000 4.104421 3.832401 3.876061 5.529159 3.638606 2.452089 0.000000 3.303116 3.123562 3.504378 4.604400 2.445370 1.385434 1.390011 0.000000 2.680159 2.907746 3.803441 3.095375 1.360261 2.344883 4.229694 2.864732 0.000000 2.680800 3.803721 3.133948 2.858471 1.359017 2.330234 4.660589 3.565432 2.201727 0.000000 3.421375 4.128183 2.991633 4.482896 2.395829 1.350977 2.677765 2.268366 3.517599 2.647475 0.000000 5.181126 5.116943 4.804274 6.546864 4.388912 2.915394 1.376115 2.281013 5.015714 5.157638 2.788050 0.000000 5.000288 4.275488 5.019019 6.405883 4.678603 3.671952 1.565248 2.322503 4.908371 5.865903 4.187125 2.337540 0.000000 3.803943 3.701032 3.090394 5.241803 3.973705 3.136309 1.578556 2.486052 4.880149 4.873837 2.871859 2.405226 2.643579 0.000000 4.143940 4.521400 4.462775 4.995862 2.364181 1.366705 3.261777 2.215048 2.600103 2.734418 2.187505 3.302853 4.263739 4.280432 0.000000 6.021013 5.304946 5.800626 7.466460 5.863736 4.781993 2.386708 3.515970 6.213740 6.995290 5.026146 2.738821 1.347158 2.969742 5.392334 0.000000 4.627955 3.576926 4.886144 5.956435 4.665855 4.071111 2.415638 2.718570 4.724263 5.978188 4.782897 3.530721 1.330222 3.095731 4.806102 2.179945 0.000000 4.964051 5.028680 3.997433 6.342926 5.019038 3.996836 2.402291 3.526445 6.023486 5.708812 3.342778 2.491614 3.412842 1.365818 4.974794 3.288391 4.148358 0.000000 4.156333 3.654471 3.578699 5.568474 4.758993 4.178221 2.406684 3.282271 5.498279 5.806425 4.141549 3.423913 2.708664 1.363893 5.350398 2.772798 2.699041 2.198603 0.000000 5.743319 5.042869 5.954440 7.056636 5.032753 3.938186 2.382349 2.699368 4.995538 6.165826 4.639778 2.658690 1.347322 3.799047 4.093619 2.170988 2.167492 4.460614 4.045495 0.000000 2.966929 3.208131 2.050298 4.339333 3.327004 2.804805 2.233224 2.586828 4.412085 4.094733 2.412087 3.067291 3.476283 1.088694 4.097978 4.005335 3.728031 2.008626 2.003082 4.544916 0.000000 0.4982016 0.2454604 0.2271567 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 346.1001319999998 AuxInfo=1/0/N:5;6;7;13;14;9;10;11;12;15;16;17;18;19;20;2;3;4;8;1;21/rA:21nS0O0O0O0C0C0C0O0F0F0F0F0C0C0F0F0F0F0F0F0H0/rB:;;;;;;;;;;;;;;;;;;;;/rC:-5.916,.4698,.9679;-6.8488,.9703,1.9891;-5.2187,-.7848,1.3362;-6.3637,.5533,-.4249;-4.4889,1.7344,1.0234;-3.5927,1.7115,2.2949;-4.1322,1.2753,4.6278;-4.3164,1.9738,3.4442;-4.9844,2.9932,.8918;-3.655,1.5265,-.0306;-2.9041,.5536,2.3761;-2.8089,1.3052,5.0015;-4.8749,2.1368,5.7005;-4.6099,-.2247,4.5614;-2.66,2.6993,2.1801;-4.7572,1.5603,6.9111;-6.1639,2.3076,5.4289;-3.6867,-1.0172,5.1795;-5.7761,-.3526,5.2525;-4.3006,3.3509,5.7796;-4.7745,-.5646,3.537; 0.000000 1.470860 0.000000 1.481893 2.482752 0.000000 1.465380 2.497305 2.490606 0.000000 1.907576 2.661901 2.641397 2.647130 0.000000 2.949613 3.353352 3.129643 4.051778 1.555760 0.000000 4.150380 3.799465 4.032308 5.570532 3.651044 2.433904 0.000000 3.309456 3.088246 3.587189 4.602050 2.438736 1.383268 1.386682 0.000000 2.690955 2.961812 3.811316 3.096651 1.359234 2.355459 4.199461 2.828438 0.000000 2.688055 3.819541 3.107287 2.905124 1.359921 2.333614 4.689476 3.565307 2.183929 0.000000 3.325879 3.985464 2.868827 4.451353 2.394945 1.349646 2.664379 2.269863 3.533076 2.702298 0.000000 5.159648 5.050520 4.859054 6.530544 4.339608 2.846976 1.375364 2.268233 4.946896 5.107485 2.732508 0.000000 5.124449 4.362516 5.263227 6.499553 4.710223 3.663706 1.563484 2.330069 4.885547 5.891112 4.176308 2.334162 0.000000 3.886065 3.613499 3.329682 5.342706 4.046036 3.149703 1.575553 2.483453 4.895007 5.006456 2.879386 2.403742 2.635187 0.000000 4.128125 4.535622 4.404366 5.010843 2.369361 1.363408 3.191619 2.206333 2.673718 2.693055 2.168463 3.150543 4.196988 4.245281 0.000000 6.152470 5.380378 6.065655 7.577003 5.896376 4.763194 2.384359 3.519160 6.191622 7.028660 5.001297 2.739985 1.346011 2.954413 5.298818 0.000000 4.831035 3.753589 5.215993 6.114229 4.747914 4.097326 2.415623 2.731947 4.737754 6.058888 4.798086 3.527512 1.328355 3.095050 4.794265 2.175754 0.000000 4.991868 4.912025 4.143975 6.406452 5.048592 3.971854 2.399600 3.514807 6.012645 5.797918 3.307344 2.489132 3.410424 1.364753 4.884954 3.284485 4.153637 0.000000 4.365065 3.681117 3.979373 5.779192 4.888562 4.216048 2.396352 3.288258 5.553100 5.995055 4.164464 3.408164 2.685144 1.361576 5.335122 2.729086 2.694020 2.193795 0.000000 5.836257 5.150543 6.139278 7.111812 5.026916 3.915557 2.379711 2.711192 4.948299 6.123948 4.621488 2.648607 1.345312 3.789958 4.008994 2.166752 2.164099 4.451592 4.021214 0.000000 2.995560 3.009094 2.256016 4.412731 3.418412 2.849619 2.233286 2.581088 4.438412 4.284114 2.469096 3.082991 3.462422 1.091820 4.118942 3.987444 3.709281 2.021398 1.997743 4.537016 0.000000 0.5068995 0.2405371 0.2228440 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 346.1001319999998 AuxInfo=1/0/N:5;6;7;13;14;9;10;11;12;15;16;17;18;19;20;2;3;4;8;1;21/rA:21nS0O0O0O0C0C0C0O0F0F0F0F0C0C0F0F0F0F0F0F0H0/rB:;;;;;;;;;;;;;;;;;;;;/rC:-5.9305,.511,1.0443;-6.9071,1.1549,1.9445;-5.2833,-.7006,1.6171;-6.3146,.4094,-.3728;-4.4796,1.7412,1.0204;-3.5882,1.7191,2.2931;-4.1333,1.2756,4.6076;-4.3357,1.9728,3.4286;-4.9327,3.0105,.8399;-3.652,1.4803,-.0294;-2.9015,.5596,2.3754;-2.8122,1.3316,4.9856;-4.8913,2.1068,5.692;-4.5836,-.2327,4.5072;-2.6552,2.7013,2.1923;-4.7607,1.5148,6.8941;-6.1838,2.2559,5.4227;-3.6589,-1.02,5.1277;-5.7606,-.388,5.1773;-4.342,3.3303,5.7871;-4.7271,-.5559,3.4731; 0.000000 1.476063 0.000000 1.488331 2.487370 0.000000 1.471679 2.505314 2.501086 0.000000 1.902364 2.662778 2.639022 2.661131 0.000000 2.916421 3.384538 3.030731 4.031791 1.554002 0.000000 4.063465 3.847139 3.764418 5.505652 3.633831 2.418845 0.000000 3.219535 3.079557 3.365541 4.561877 2.423604 1.382964 1.384608 0.000000 2.699000 2.925991 3.807785 3.185197 1.359766 2.363760 4.224282 2.852125 0.000000 2.698862 3.820709 3.182549 2.890317 1.362014 2.335628 4.666425 3.559207 2.176526 0.000000 3.308948 4.072453 2.799287 4.384534 2.392215 1.350075 2.648145 2.272314 3.534198 2.682211 0.000000 5.092291 5.103714 4.645759 6.467564 4.320985 2.828755 1.375304 2.270795 4.949973 5.087026 2.723426 0.000000 5.022698 4.360386 4.963824 6.456611 4.703919 3.660728 1.562455 2.334419 4.935719 5.887507 4.165654 2.328659 0.000000 3.789307 3.727122 3.010106 5.217496 4.008072 3.114881 1.577313 2.467654 4.908071 4.937895 2.828680 2.411240 2.640417 0.000000 4.103987 4.531116 4.337131 5.022256 2.371391 1.358426 3.170357 2.209770 2.666733 2.724044 2.163622 3.115011 4.195399 4.205455 0.000000 6.049524 5.406963 5.746987 7.512928 5.884816 4.752490 2.383074 3.521412 6.238647 7.011844 4.978732 2.733655 1.346359 2.963586 5.286614 0.000000 4.720136 3.719331 4.902520 6.083948 4.748647 4.101218 2.414504 2.733504 4.810092 6.061129 4.789251 3.523227 1.328610 3.097150 4.804648 2.177028 0.000000 4.917181 5.041230 3.881351 6.273048 5.016727 3.942376 2.401098 3.507420 6.021011 5.731252 3.262445 2.503412 3.407915 1.363805 4.844781 3.280142 4.146545 0.000000 4.233108 3.761133 3.605643 5.634384 4.842982 4.180681 2.395874 3.265270 5.572110 5.920049 4.113770 3.418655 2.691533 1.363323 5.300728 2.750945 2.688784 2.195299 0.000000 5.741556 5.106555 5.875588 7.096884 5.026452 3.920729 2.378322 2.721208 4.992574 6.142473 4.625063 2.641494 1.344521 3.793633 4.020357 2.167256 2.163087 4.452670 4.026123 0.000000 2.912984 3.164759 1.942883 4.271100 3.369492 2.804475 2.234760 2.559249 4.437898 4.191589 2.404580 3.085053 3.469915 1.092866 4.067262 3.999057 3.718785 2.023454 2.000204 4.539302 0.000000 0.5061881 0.2454628 0.2274523 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 346.1001319999998 AuxInfo=1/0/N:5;6;7;13;14;9;10;11;12;15;16;17;18;19;20;2;3;4;8;1;21/rA:21nS0O0O0O0C0C0C0O0F0F0F0F0C0C0F0F0F0F0F0F0H0/rB:;;;;;;;;;;;;;;;;;;;;/rC:-5.9512,.5313,.9799;-6.9572,1.1943,1.8286;-5.3437,-.6822,1.5859;-6.2669,.4268,-.4514;-4.4876,1.7514,1.012;-3.602,1.7066,2.2907;-4.1286,1.2609,4.6172;-4.359,1.934,3.4268;-4.9415,3.0247,.8725;-3.6541,1.5086,-.0368;-2.9163,.5462,2.3587;-2.801,1.3389,4.9711;-4.882,2.1064,5.6941;-4.5615,-.254,4.5676;-2.6653,2.6923,2.2097;-4.7264,1.5429,6.9071;-6.1802,2.2345,5.4404;-3.6277,-1.0096,5.2138;-5.7366,-.405,5.2431;-4.3449,3.338,5.7531;-4.7,-.6093,3.5439; 0.000000 1.473734 0.000000 1.486181 2.486679 0.000000 1.469462 2.502833 2.496573 0.000000 1.905814 2.660117 2.642843 2.657485 0.000000 2.935709 3.425374 3.039087 4.032231 1.556103 0.000000 4.133266 3.972580 3.800055 5.564050 3.656050 2.426537 0.000000 3.238825 3.138762 3.347048 4.577356 2.425082 1.383961 1.386791 0.000000 2.692263 2.885732 3.796210 3.202912 1.358883 2.354320 4.218255 2.837746 0.000000 2.695548 3.806480 3.207394 2.858192 1.361503 2.336511 4.684629 3.560082 2.186949 0.000000 3.333463 4.126715 2.828079 4.374645 2.394820 1.349539 2.661028 2.268974 3.528846 2.684939 0.000000 5.148338 5.212455 4.691376 6.499829 4.323087 2.821522 1.376137 2.272970 4.921514 5.082838 2.732437 0.000000 5.084061 4.481102 4.986609 6.519689 4.712062 3.657992 1.562745 2.333220 4.908566 5.891353 4.174063 2.332826 0.000000 3.926710 3.916460 3.112137 5.344347 4.082787 3.154065 1.576298 2.475819 4.954482 5.012999 2.868087 2.408161 2.634952 0.000000 4.120693 4.561781 4.353154 5.018569 2.375004 1.362268 3.160052 2.219223 2.660740 2.725005 2.165891 3.078198 4.171071 4.223221 0.000000 6.136383 5.557798 5.800620 7.600453 5.903623 4.754123 2.383421 3.521446 6.217525 7.026279 4.995767 2.738006 1.346510 2.954561 5.256851 0.000000 4.780140 3.838095 4.905533 6.163557 4.765455 4.104452 2.415550 2.731665 4.798392 6.075241 4.795901 3.527233 1.328990 3.094293 4.796042 2.177858 0.000000 5.069341 5.234658 4.026536 6.412704 5.100728 3.990245 2.400394 3.520349 6.070184 5.823254 3.328348 2.501513 3.393072 1.363981 4.863593 3.254164 4.134075 0.000000 4.369996 3.963077 3.688623 5.779284 4.910405 4.210845 2.398479 3.266135 5.612141 5.989625 4.144663 3.425297 2.690881 1.363804 5.312950 2.753917 2.683789 2.194010 0.000000 5.765498 5.178874 5.875746 7.117925 5.001528 3.898868 2.377257 2.717164 4.926812 6.111162 4.621339 2.644139 1.344918 3.788733 3.974079 2.167853 2.164219 4.439200 4.025786 0.000000 3.072519 3.360103 2.062342 4.414880 3.468226 2.852892 2.230733 2.568757 4.516642 4.289586 2.433335 3.072187 3.468661 1.092433 4.101287 3.993023 3.724991 2.024461 2.000911 4.537391 0.000000 0.5067143 0.2406994 0.2239932 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 346.1001319999998 AuxInfo=1/0/N:5;6;7;13;14;9;10;11;12;15;16;17;18;19;20;2;3;4;8;1;21/rA:21nS0O0O0O0C0C0C0O0F0F0F0F0C0C0F0F0F0F0F0F0H0/rB:;;;;;;;;;;;;;;;;;;;;/rC:-5.9647,.5495,.969;-6.9885,1.2499,1.76;-5.3908,-.6517,1.6291;-6.2358,.4,-.4662;-4.4851,1.7597,1.0066;-3.609,1.7059,2.2912;-4.1299,1.2488,4.6132;-4.3997,1.8905,3.4118;-4.9325,3.0342,.8729;-3.6482,1.5084,-.0361;-2.9076,.5544,2.3451;-2.7964,1.3445,4.9401;-4.8768,2.1007,5.6894;-4.5461,-.2691,4.5898;-2.6822,2.7064,2.2442;-4.7197,1.5417,6.9043;-6.1761,2.232,5.4403;-3.6081,-1.0042,5.2528;-5.7241,-.4239,5.2626;-4.3364,3.3312,5.741;-4.6764,-.6309,3.5669; 0.000000 1.471234 0.000000 1.485932 2.487218 0.000000 1.468245 2.499019 2.492086 0.000000 1.911854 2.663560 2.650066 2.661343 0.000000 2.938454 3.451258 3.028405 4.025963 1.555856 0.000000 4.139515 4.038897 3.755890 5.563781 3.659892 2.423187 0.000000 3.196019 3.137005 3.259306 4.542194 2.410241 1.383810 1.388523 0.000000 2.692310 2.863228 3.790509 3.229677 1.357288 2.351078 4.221567 2.835099 0.000000 2.701055 3.801366 3.236552 2.847628 1.360413 2.335932 4.681318 3.549386 2.191714 0.000000 3.352555 4.180952 2.851982 4.359393 2.394392 1.349342 2.668394 2.269195 3.523757 2.669916 0.000000 5.141988 5.262760 4.656038 6.476893 4.300832 2.794258 1.376346 2.281399 4.894961 5.051214 2.714877 0.000000 5.086389 4.541287 4.932087 6.529192 4.711478 3.648371 1.562566 2.336502 4.906445 5.885619 4.177616 2.336947 0.000000 3.974029 4.034986 3.102558 5.372754 4.118210 3.172131 1.574137 2.464404 4.987683 5.036313 2.898576 2.405810 2.633260 0.000000 4.129569 4.571724 4.357963 5.029318 2.382986 1.364664 3.135651 2.231300 2.655546 2.751024 2.166063 3.022527 4.129430 4.222518 0.000000 6.145113 5.630016 5.752337 7.610977 5.906431 4.747792 2.383895 3.524502 6.217020 7.022674 5.004472 2.756117 1.346575 2.943795 5.217713 0.000000 4.782044 3.894771 4.843338 6.184403 4.768657 4.096760 2.416144 2.717923 4.801181 6.074875 4.803909 3.529946 1.329477 3.104172 4.758916 2.177412 0.000000 5.130134 5.358015 4.053811 6.448533 5.141862 4.014402 2.399470 3.520706 6.102968 5.855446 3.372610 2.504561 3.382346 1.363722 4.865900 3.231832 4.135588 0.000000 4.409132 4.082759 3.655896 5.810367 4.941360 4.223588 2.400242 3.245931 5.644009 6.009892 4.171536 3.435499 2.696882 1.365388 5.306833 2.750876 2.699933 2.194193 0.000000 5.758553 5.216682 5.820912 7.122429 4.990618 3.882268 2.377169 2.739514 4.913456 6.096771 4.613466 2.638256 1.344953 3.785683 3.918472 2.168556 2.163995 4.423185 4.031737 0.000000 3.130799 3.485456 2.065357 4.445248 3.508128 2.868331 2.219680 2.541327 4.555919 4.314492 2.454910 3.053306 3.465064 1.092872 4.106591 3.982553 3.735681 2.030517 2.004026 4.532214 0.000000 0.5064626 0.2399427 0.2235360 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 346.1001319999998 AuxInfo=1/0/N:5;6;7;13;14;9;10;11;12;15;16;17;18;19;20;2;3;4;8;1;21/rA:21nS0O0O0O0C0C0C0O0F0F0F0F0C0C0F0F0F0F0F0F0H0/rB:;;;;;;;;;;;;;;;;;;;;/rC:-5.9577,.5387,.9605;-6.9821,1.2159,1.768;-5.3682,-.6674,1.5964;-6.234,.4146,-.4754;-4.4849,1.7635,1.0079;-3.6127,1.7103,2.2953;-4.1316,1.2453,4.6161;-4.4118,1.8801,3.4115;-4.9426,3.0338,.8752;-3.6446,1.5192,-.0323;-2.906,.5615,2.3442;-2.7955,1.3288,4.9303;-4.8614,2.1061,5.6962;-4.5617,-.2683,4.5912;-2.6911,2.7173,2.2602;-4.666,1.5722,6.917;-6.1685,2.2141,5.4765;-3.6469,-1.0125,5.2756;-5.7571,-.4103,5.2364;-4.337,3.3449,5.7107;-4.6723,-.63,3.5664; 0.000000 1.469705 0.000000 1.485404 2.486132 0.000000 1.467494 2.496941 2.492500 0.000000 1.916126 2.667067 2.652444 2.660625 0.000000 2.941744 3.446063 3.037086 4.028291 1.555968 0.000000 4.147014 4.029623 3.782382 5.570801 3.662291 2.423141 0.000000 3.193286 3.122305 3.270996 4.536129 2.407517 1.383202 1.390192 0.000000 2.695033 2.874203 3.794696 3.217383 1.356751 2.353128 4.225081 2.836508 0.000000 2.701391 3.804156 3.225595 2.849756 1.359366 2.335701 4.681899 3.546650 2.191383 0.000000 3.350879 4.168314 2.851680 4.364330 2.392347 1.349639 2.670465 2.268337 3.523916 2.666561 0.000000 5.136471 5.247873 4.660335 6.471516 4.292766 2.785003 1.375081 2.285371 4.894998 5.038317 2.699785 0.000000 5.107381 4.551930 4.975670 6.544730 4.715784 3.644398 1.562079 2.339416 4.910129 5.885616 4.176739 2.336384 0.000000 3.972696 4.003953 3.127121 5.379010 4.119951 3.175971 1.573714 2.455618 4.985778 5.041175 2.911935 2.405286 2.635984 0.000000 4.136009 4.572603 4.366201 5.033689 2.386587 1.365485 3.129233 2.233140 2.662300 2.756893 2.168101 3.011300 4.109668 4.224534 0.000000 6.182025 5.657200 5.815371 7.645080 5.914976 4.742232 2.384678 3.528204 6.222313 7.024216 5.003015 2.739558 1.346761 2.967793 5.186254 0.000000 4.821430 3.925741 4.898895 6.218380 4.796448 4.111714 2.414121 2.731671 4.831909 6.099205 4.815273 3.529786 1.329830 3.086736 4.763409 2.178246 0.000000 5.134844 5.328503 4.076644 6.465624 5.159616 4.036979 2.401587 3.525272 6.116831 5.880810 3.408803 2.515184 3.373085 1.363529 4.890592 3.227033 4.100033 0.000000 4.384543 4.021797 3.669780 5.790755 4.921741 4.212527 2.401636 3.222754 5.616514 5.995405 4.175926 3.448095 2.710280 1.365782 5.295250 2.818740 2.667248 2.194850 0.000000 5.750315 5.203253 5.838604 7.103037 4.963740 3.855009 2.376658 2.727136 4.883256 6.065858 4.596533 2.655095 1.345294 3.789287 3.874060 2.169282 2.165182 4.433100 4.042604 0.000000 3.131915 3.460716 2.089682 4.457177 3.508513 2.866294 2.216058 2.528375 4.554022 4.315812 2.456362 3.036394 3.472406 1.092367 4.103161 4.009533 3.738436 2.029598 2.003452 4.528776 0.000000 0.5071209 0.2399256 0.2228247 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 346.1001319999998 AuxInfo=1/0/N:5;6;7;13;14;9;10;11;12;15;16;17;18;19;20;2;3;4;8;1;21/rA:21nS0O0O0O0C0C0C0O0F0F0F0F0C0C0F0F0F0F0F0F0H0/rB:;;;;;;;;;;;;;;;;;;;;/rC:-5.9566,.5312,.9574;-6.9887,1.2063,1.7571;-5.363,-.6693,1.6008;-6.2234,.4028,-.4804;-4.4892,1.7642,1.0073;-3.6174,1.7144,2.2954;-4.1316,1.2452,4.6175;-4.4179,1.8764,3.4116;-4.9522,3.0325,.8729;-3.6467,1.5232,-.0317;-2.9039,.5693,2.3412;-2.7948,1.3272,4.9257;-4.8554,2.109,5.6989;-4.5628,-.2681,4.5928;-2.7029,2.7277,2.2626;-4.6906,1.5523,6.9142;-6.1564,2.2519,5.4626;-3.6469,-1.0137,5.2744;-5.7569,-.4093,5.2406;-4.3011,3.3343,5.7385;-4.6756,-.6296,3.5686; 0.000000 1.469849 0.000000 1.485750 2.486984 0.000000 1.467930 2.497456 2.494124 0.000000 1.917192 2.668408 2.652764 2.659688 0.000000 2.943088 3.451550 3.035062 4.026962 1.556156 0.000000 4.151677 4.043063 3.779174 5.574328 3.664710 2.424124 0.000000 3.193755 3.129765 3.263882 4.536363 2.407884 1.383002 1.390904 0.000000 2.696663 2.874657 3.794927 3.219054 1.356871 2.354269 4.229628 2.840230 0.000000 2.701411 3.803764 3.227611 2.845330 1.359227 2.335152 4.682636 3.546190 2.191000 0.000000 3.351836 4.175170 2.851186 4.359773 2.391634 1.350008 2.673110 2.268562 3.524017 2.663117 0.000000 5.135964 5.257730 4.651581 6.468059 4.291355 2.783019 1.374327 2.286643 4.897766 5.033919 2.695620 0.000000 5.116991 4.572052 4.977047 6.554809 4.718414 3.643037 1.561875 2.340374 4.914533 5.885879 4.177686 2.335583 0.000000 3.974668 4.012534 3.123120 5.380059 4.122016 3.178375 1.573702 2.452614 4.988326 5.043229 2.919410 2.404489 2.638047 0.000000 4.136923 4.575781 4.365021 5.032172 2.386410 1.365325 3.127975 2.232892 2.661517 2.757778 2.169156 3.010318 4.101709 4.226540 0.000000 6.174885 5.656608 5.798330 7.638770 5.914110 4.744621 2.383696 3.528200 6.225544 7.024001 5.007152 2.756627 1.346883 2.952802 5.193287 0.000000 4.826778 3.939165 4.906824 6.224361 4.781942 4.094710 2.414100 2.714872 4.808869 6.084186 4.811822 3.527623 1.330055 3.105909 4.732176 2.178373 0.000000 5.134041 5.335554 4.069348 6.462398 5.160830 4.039586 2.401958 3.523897 6.119601 5.881421 3.414967 2.515513 3.375207 1.363621 4.894945 3.219168 4.122856 0.000000 4.389791 4.032686 3.670293 5.797093 4.924558 4.214459 2.401557 3.219180 5.618760 5.998710 4.183750 3.448032 2.713797 1.365822 5.294920 2.790374 2.700231 2.195140 0.000000 5.784161 5.253863 5.854651 7.138830 4.988416 3.865998 2.376901 2.748368 4.918257 6.083023 4.597713 2.637755 1.345441 3.789187 3.873484 2.170151 2.165655 4.421390 4.047478 0.000000 3.131563 3.464436 2.084817 4.455946 3.510667 2.869714 2.216073 2.524142 4.555678 4.319196 2.466362 3.034566 3.474206 1.092009 4.107149 3.994266 3.752750 2.028737 2.003270 4.534420 0.000000 0.5072926 0.2396672 0.2224475 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 346.1001319999998 AuxInfo=1/0/N:5;6;7;13;14;9;10;11;12;15;16;17;18;19;20;2;3;4;8;1;21/rA:21nS0O0O0O0C0C0C0O0F0F0F0F0C0C0F0F0F0F0F0F0H0/rB:;;;;;;;;;;;;;;;;;;;;/rC:-5.9548,.5265,.958;-6.9918,1.1976,1.756;-5.3576,-.6719,1.603;-6.22,.3959,-.4807;-4.4918,1.7646,1.0074;-3.6199,1.7179,2.2953;-4.1302,1.2454,4.618;-4.4185,1.8775,3.4125;-4.9573,3.0322,.8704;-3.6474,1.5256,-.0309;-2.9027,.5745,2.3398;-2.7933,1.3233,4.9227;-4.8498,2.1087,5.7021;-4.5654,-.2661,4.5903;-2.7091,2.7339,2.2612;-4.6892,1.5452,6.9149;-6.1501,2.2591,5.4657;-3.6607,-1.0133,5.2857;-5.7685,-.399,5.2226;-4.2893,3.3309,5.7478;-4.6665,-.6305,3.566; 0.000000 1.470536 0.000000 1.486207 2.487778 0.000000 1.468691 2.498160 2.495089 0.000000 1.917192 2.670491 2.653456 2.659699 0.000000 2.942779 3.454180 3.034886 4.026702 1.556035 0.000000 4.152276 4.047463 3.777924 5.575358 3.665589 2.424539 0.000000 3.195376 3.135001 3.264391 4.538447 2.408927 1.382575 1.391323 0.000000 2.698367 2.879041 3.797020 3.220153 1.357316 2.355114 4.233363 2.843635 0.000000 2.701894 3.805930 3.228540 2.845479 1.359444 2.334265 4.682202 3.546189 2.190386 0.000000 3.350644 4.177232 2.850073 4.357864 2.390980 1.350435 2.673313 2.268528 3.524314 2.660673 0.000000 5.133165 5.260369 4.645180 6.465209 4.290644 2.782489 1.373410 2.286730 4.901524 5.030747 2.691512 0.000000 5.121591 4.581466 4.979172 6.560260 4.720881 3.643007 1.561558 2.341241 4.920372 5.886617 4.177268 2.335249 0.000000 3.968960 4.007925 3.117154 5.375028 4.119072 3.177694 1.573154 2.450328 4.987060 5.040698 2.921656 2.403614 2.637499 0.000000 4.135848 4.577791 4.364306 5.030876 2.385269 1.364817 3.128793 2.231782 2.660391 2.755659 2.169470 3.013388 4.100377 4.227386 0.000000 6.174497 5.660154 5.794740 7.639268 5.914889 4.744890 2.382941 3.528496 6.230544 7.023486 5.006517 2.759074 1.346936 2.949537 5.195261 0.000000 4.833183 3.949353 4.913201 6.231818 4.782387 4.092245 2.413795 2.712849 4.810187 6.083903 4.811910 3.526850 1.330138 3.107103 4.725963 2.178071 0.000000 5.134485 5.333215 4.069221 6.464263 5.168302 4.050154 2.401638 3.527029 6.127190 5.891702 3.431322 2.518748 3.366581 1.363921 4.908625 3.202797 4.115554 0.000000 4.367902 4.007952 3.653112 5.776104 4.907080 4.203254 2.398698 3.206510 5.601223 5.983519 4.179819 3.450841 2.713370 1.365570 5.286294 2.794398 2.696350 2.196332 0.000000 5.794912 5.271528 5.860327 7.150899 4.996607 3.869054 2.377236 2.753614 4.932059 6.088030 4.597253 2.636101 1.345385 3.788715 3.874269 2.170402 2.165853 4.413667 4.046731 0.000000 3.130484 3.467718 2.081521 4.454442 3.509022 2.867951 2.216570 2.524938 4.556993 4.315621 2.462990 3.027742 3.478438 1.091939 4.105210 3.993685 3.762943 2.028699 2.003112 4.538195 0.000000 0.5077915 0.2397783 0.2222471 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 346.1001319999998 AuxInfo=1/0/N:5;6;7;13;14;9;10;11;12;15;16;17;18;19;20;2;3;4;8;1;21/rA:21nS0O0O0O0C0C0C0O0F0F0F0F0C0C0F0F0F0F0F0F0H0/rB:;;;;;;;;;;;;;;;;;;;;/rC:-5.9498,.5168,.9578;-6.9926,1.1787,1.7567;-5.3419,-.677,1.6015;-6.2137,.3865,-.4816;-4.4971,1.7665,1.0078;-3.6245,1.7241,2.2951;-4.1293,1.2445,4.6173;-4.4215,1.879,3.4133;-4.9718,3.0312,.8716;-3.6509,1.5353,-.0309;-2.9022,.5832,2.3372;-2.7914,1.3148,4.9144;-4.8393,2.1091,5.7064;-4.572,-.2639,4.5882;-2.7183,2.7437,2.2604;-4.6863,1.5355,6.9155;-6.1376,2.2773,5.4706;-3.6889,-1.0116,5.3112;-5.791,-.3847,5.1902;-4.2643,3.3241,5.7608;-4.6494,-.6354,3.5645; 0.000000 1.470969 0.000000 1.486283 2.488467 0.000000 1.469223 2.498893 2.496124 0.000000 1.916982 2.670985 2.652687 2.658893 0.000000 2.941622 3.454222 3.032399 4.025355 1.555745 0.000000 4.151654 4.047982 3.775947 5.575008 3.665584 2.424380 0.000000 3.197064 3.137797 3.265397 4.539892 2.409352 1.381890 1.391945 0.000000 2.699323 2.880821 3.797409 3.219958 1.357702 2.355876 4.234685 2.844451 0.000000 2.701830 3.806554 3.227702 2.844404 1.359587 2.333846 4.681876 3.546125 2.190254 0.000000 3.345869 4.174051 2.842679 4.353182 2.389778 1.350961 2.672504 2.268329 3.524747 2.659877 0.000000 5.125171 5.257362 4.631148 6.456895 4.286598 2.778903 1.372284 2.286600 4.903495 5.024331 2.681388 0.000000 5.130098 4.593729 4.986487 6.568728 4.723478 3.641574 1.561326 2.342152 4.923705 5.887167 4.175241 2.334997 0.000000 3.960817 3.994758 3.111905 5.368623 4.116752 3.179336 1.572304 2.448461 4.983062 5.042027 2.927920 2.401913 2.636868 0.000000 4.135067 4.579622 4.361001 5.029221 2.384938 1.364580 3.129508 2.231110 2.662618 2.753243 2.169745 3.015122 4.095921 4.230929 0.000000 6.174844 5.662124 5.793409 7.640107 5.915257 4.744609 2.382550 3.528934 6.232774 7.023206 5.005116 2.764749 1.347019 2.944010 5.196467 0.000000 4.847676 3.966228 4.932628 6.245802 4.782112 4.087232 2.414106 2.708512 4.803959 6.082848 4.812061 3.525999 1.330162 3.112481 4.713230 2.178144 0.000000 5.138065 5.324102 4.075048 6.471962 5.185554 4.072421 2.401116 3.534651 6.140010 5.918276 3.465064 2.524892 3.349419 1.364366 4.934740 3.171185 4.103464 0.000000 4.330230 3.959354 3.628476 5.739603 4.877925 4.185949 2.396614 3.187003 5.566814 5.960394 4.173900 3.458634 2.718679 1.364946 5.273733 2.807886 2.699047 2.196982 0.000000 5.812922 5.298928 5.871003 7.169160 5.007056 3.870413 2.376986 2.761025 4.948734 6.092609 4.592249 2.631114 1.345224 3.787197 3.870355 2.170364 2.165402 4.396697 4.051045 0.000000 3.132632 3.471232 2.081923 4.456727 3.511293 2.868654 2.216624 2.529269 4.560681 4.316940 2.458446 3.013024 3.486642 1.091858 4.104729 3.992990 3.785775 2.028584 2.002267 4.544193 0.000000 0.5088188 0.2400396 0.2219251 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 346.1001319999998 AuxInfo=1/0/N:5;6;7;13;14;9;10;11;12;15;16;17;18;19;20;2;3;4;8;1;21/rA:21nS0O0O0O0C0C0C0O0F0F0F0F0C0C0F0F0F0F0F0F0H0/rB:;;;;;;;;;;;;;;;;;;;;/rC:-5.9473,.5117,.9573;-6.993,1.1693,1.7561;-5.3349,-.6798,1.6008;-6.211,.3803,-.4823;-4.5005,1.7678,1.0079;-3.6266,1.7274,2.2943;-4.1284,1.2436,4.6163;-4.4225,1.8798,3.4135;-4.981,3.0307,.8744;-3.6541,1.5426,-.0321;-2.9003,.5886,2.3343;-2.7896,1.3089,4.9093;-4.8331,2.1086,5.7087;-4.5752,-.2625,4.588;-2.7235,2.7498,2.259;-4.6844,1.5288,6.9155;-6.1302,2.286,5.4735;-3.7083,-1.0079,5.3334;-5.8056,-.3747,5.1666;-4.2502,3.3196,5.7678;-4.6341,-.6406,3.5656; 0.000000 1.471123 0.000000 1.486139 2.488466 0.000000 1.469377 2.498907 2.495998 0.000000 1.916623 2.670352 2.652942 2.659243 0.000000 2.941223 3.454531 3.032090 4.025248 1.555608 0.000000 4.151181 4.048748 3.774706 5.574722 3.665151 2.424351 0.000000 3.198328 3.139930 3.266436 4.541327 2.409386 1.381744 1.392134 0.000000 2.699246 2.879340 3.797423 3.221524 1.357850 2.355633 4.233482 2.843118 0.000000 2.701872 3.805966 3.229589 2.844476 1.359662 2.333870 4.682068 3.546261 2.190145 0.000000 3.344518 4.173921 2.841501 4.351600 2.389544 1.351227 2.672937 2.269074 3.524768 2.660446 0.000000 5.121055 5.256549 4.623867 6.452703 4.284698 2.777465 1.372042 2.286929 4.903840 5.021942 2.676188 0.000000 5.134890 4.601105 4.990170 6.573667 4.724784 3.641284 1.561498 2.342843 4.923622 5.887844 4.175229 2.335505 0.000000 3.957851 3.989493 3.110505 5.366281 4.116407 3.181319 1.571234 2.447938 4.980079 5.045058 2.934121 2.400167 2.635277 0.000000 4.134748 4.580346 4.360594 5.029065 2.384776 1.364636 3.130339 2.230746 2.663095 2.751839 2.169723 3.017441 4.094076 4.234053 0.000000 6.174904 5.663750 5.791996 7.640416 5.915220 4.744857 2.382603 3.529283 6.232020 7.023558 5.005416 2.768253 1.347109 2.939002 5.197915 0.000000 4.855720 3.976256 4.942328 6.253766 4.781816 4.085010 2.414290 2.706464 4.798623 6.082364 4.813300 3.526007 1.330086 3.114053 4.706709 2.177840 0.000000 5.145222 5.322343 4.084946 6.481744 5.200196 4.089625 2.400009 3.540516 6.149257 5.941154 3.492399 2.528102 3.334503 1.364827 4.954040 3.144929 4.090900 0.000000 4.304005 3.927538 3.609723 5.713515 4.856764 4.173366 2.394735 3.173190 5.540749 5.944048 4.170232 3.463650 2.721462 1.364294 5.264590 2.817598 2.697971 2.197180 0.000000 5.822854 5.314204 5.876717 7.179679 5.012724 3.871631 2.377102 2.765105 4.956130 6.095261 4.590150 2.629313 1.345228 3.785342 3.868734 2.170782 2.165431 4.382845 4.053162 0.000000 3.139320 3.480549 2.086432 4.462453 3.515612 2.870282 2.215813 2.533795 4.565205 4.320893 2.456261 3.001403 3.491492 1.091711 4.105174 3.991308 3.800451 2.029175 2.001589 4.547531 0.000000 0.5095172 0.2401863 0.2216920 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 346.1001319999998 AuxInfo=1/0/N:5;6;7;13;14;9;10;11;12;15;16;17;18;19;20;2;3;4;8;1;21/rA:21nS0O0O0O0C0C0C0O0F0F0F0F0C0C0F0F0F0F0F0F0H0/rB:;;;;;;;;;;;;;;;;;;;;/rC:-5.9462,.5097,.9564;-6.9935,1.1665,1.7538;-5.3321,-.6798,1.6013;-6.2085,.3761,-.483;-4.5026,1.7689,1.0077;-3.6276,1.7287,2.2932;-4.1281,1.2424,4.6153;-4.4227,1.8797,3.4134;-4.9867,3.0308,.8775;-3.6567,1.548,-.0336;-2.8991,.5914,2.3316;-2.7884,1.305,4.9063;-4.83,2.1079,5.7095;-4.5766,-.2624,4.5891;-2.726,2.7527,2.258;-4.6828,1.526,6.9155;-6.1265,2.2898,5.4752;-3.7191,-1.005,5.3488;-5.8134,-.37,5.1536;-4.2434,3.317,5.7703;-4.6239,-.6455,3.568; 0.000000 1.471051 0.000000 1.485899 2.488434 0.000000 1.469249 2.498868 2.495483 0.000000 1.916262 2.669041 2.652627 2.659359 0.000000 2.940917 3.454901 3.030698 4.024703 1.555568 0.000000 4.150880 4.050255 3.772094 5.574198 3.664992 2.424707 0.000000 3.199119 3.141892 3.265209 4.542207 2.409512 1.381971 1.392014 0.000000 2.698641 2.875852 3.796263 3.223514 1.357815 2.355184 4.231674 2.841435 0.000000 2.701829 3.804499 3.231553 2.843725 1.359684 2.334022 4.682754 3.546622 2.190329 0.000000 3.343982 4.174707 2.840511 4.349725 2.389607 1.351152 2.673870 2.269677 3.524617 2.661423 0.000000 5.119147 5.257385 4.618754 6.450179 4.284000 2.777053 1.372334 2.286964 4.903294 5.021552 2.674103 0.000000 5.137310 4.605923 4.990074 6.576244 4.725343 3.641532 1.561773 2.343123 4.921869 5.888435 4.175958 2.336215 0.000000 3.958294 3.990226 3.109965 5.366291 4.117953 3.183721 1.570377 2.448356 4.978854 5.049055 2.939237 2.398927 2.633969 0.000000 4.134622 4.580605 4.359528 5.028867 2.384870 1.364825 3.131160 2.230732 2.663463 2.751208 2.169524 3.018859 4.093397 4.236708 0.000000 6.175746 5.666725 5.790352 7.641244 5.915537 4.745582 2.383112 3.529577 6.230148 7.024538 5.006784 2.770324 1.347125 2.936315 5.198757 0.000000 4.860138 3.982792 4.945405 6.258594 4.781934 4.084687 2.414585 2.705961 4.794531 6.082555 4.814879 3.526503 1.329968 3.114650 4.704103 2.177592 0.000000 5.152342 5.325454 4.092784 6.489536 5.210814 4.100939 2.399091 3.544301 6.155179 5.957472 3.510571 2.529395 3.324773 1.365210 4.965831 3.128787 4.082505 0.000000 4.290369 3.913028 3.598059 5.699451 4.845672 4.166980 2.393648 3.165931 5.525689 5.936024 4.168990 3.466555 2.723238 1.363747 5.260007 2.824436 2.697409 2.197081 0.000000 5.827027 5.321673 5.877125 7.184373 5.014616 3.871996 2.377278 2.766465 4.957282 6.095868 4.589247 2.628999 1.345245 3.783939 3.867527 2.170752 2.165223 4.373987 4.054501 0.000000 3.146904 3.491348 2.090559 4.468226 3.521163 2.873051 2.215134 2.537904 4.570030 4.326432 2.456255 2.994088 3.494285 1.091672 4.106822 3.990645 3.809410 2.029559 2.001231 4.549353 0.000000 0.5099361 0.2402215 0.2215441 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 346.1001319999998 AuxInfo=1/0/N:5;6;7;13;14;9;10;11;12;15;16;17;18;19;20;2;3;4;8;1;21/rA:21nS0O0O0O0C0C0C0O0F0F0F0F0C0C0F0F0F0F0F0F0H0/rB:;;;;;;;;;;;;;;;;;;;;/rC:-5.9464,.5102,.9565;-6.9928,1.167,1.7549;-5.3324,-.6798,1.6004;-6.2098,.377,-.4827;-4.5025,1.7689,1.0076;-3.6272,1.7283,2.2929;-4.1282,1.2423,4.6151;-4.4223,1.8797,3.4133;-4.9865,3.0308,.8781;-3.657,1.5481,-.034;-2.8991,.591,2.3313;-2.7884,1.3051,4.9066;-4.8305,2.1078,5.7091;-4.5763,-.2625,4.5894;-2.7253,2.7522,2.2577;-4.6834,1.5264,6.9153;-6.127,2.2894,5.4746;-3.7188,-1.0044,5.3499;-5.8131,-.3705,5.1535;-4.2442,3.3171,5.7697;-4.6228,-.6462,3.5684; 0.000000 1.470949 0.000000 1.485819 2.488276 0.000000 1.469118 2.498729 2.495188 0.000000 1.916244 2.668742 2.652617 2.659518 0.000000 2.940897 3.454288 3.030913 4.024881 1.555587 0.000000 4.150563 4.048773 3.772631 5.573938 3.664891 2.424857 0.000000 3.199095 3.140974 3.265829 4.542172 2.409540 1.382169 1.391822 0.000000 2.698435 2.875422 3.796105 3.223459 1.357736 2.355019 4.230988 2.840932 0.000000 2.701878 3.804349 3.231419 2.844215 1.359671 2.334078 4.682943 3.546757 2.190408 0.000000 3.344087 4.174044 2.840790 4.350282 2.389711 1.350975 2.674073 2.269710 3.524505 2.661822 0.000000 5.119421 5.256402 4.619824 6.450704 4.284338 2.777437 1.372611 2.286891 4.902975 5.022286 2.674778 0.000000 5.136624 4.603983 4.990407 6.575404 4.725073 3.641768 1.561825 2.342965 4.920901 5.888449 4.176219 2.336384 0.000000 3.958849 3.989742 3.111290 5.366900 4.118434 3.184051 1.570254 2.448657 4.978835 5.049724 2.939461 2.398836 2.633793 0.000000 4.134698 4.580131 4.359782 5.029196 2.384986 1.364901 3.131373 2.230830 2.663498 2.751329 2.169428 3.019068 4.093827 4.236912 0.000000 6.175402 5.665070 5.791125 7.640766 5.915452 4.745867 2.383287 3.529493 6.229273 7.024777 5.007218 2.770388 1.347097 2.936267 5.199066 0.000000 4.859138 3.980676 4.945382 6.257211 4.781562 4.084949 2.414590 2.706044 4.793575 6.082339 4.814980 3.526692 1.329937 3.114574 4.704672 2.177565 0.000000 5.153438 5.325273 4.094811 6.490911 5.211597 4.101372 2.398987 3.544479 6.155291 5.958639 3.511235 2.529023 3.324366 1.365284 4.965936 3.128373 4.082234 0.000000 4.290458 3.912350 3.598770 5.699347 4.845925 4.167282 2.393654 3.166360 5.525567 5.936345 4.168993 3.466589 2.723286 1.363655 5.260354 2.824641 2.697569 2.196949 0.000000 5.826077 5.319457 5.877268 7.183269 5.014065 3.872075 2.377285 2.765972 4.955910 6.095660 4.589503 2.629150 1.345266 3.783757 3.867862 2.170676 2.165176 4.373561 4.054557 0.000000 3.148211 3.491935 2.092311 4.469553 3.522062 2.873409 2.215015 2.538528 4.570656 4.327286 2.456053 2.993863 3.494310 1.091697 4.106998 3.990702 3.809679 2.029552 2.001294 4.549327 0.000000 0.5099042 0.2402238 0.2215593 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 346.1001319999998 AuxInfo=1/0/N:5;6;7;13;14;9;10;11;12;15;16;17;18;19;20;2;3;4;8;1;21/rA:21nS0O0O0O0C0C0C0O0F0F0F0F0C0C0F0F0F0F0F0F0H0/rB:;;;;;;;;;;;;;;;;;;;;/rC:-5.9464,.51,.9563;-6.9927,1.1665,1.7549;-5.332,-.6799,1.5999;-6.2098,.3772,-.4828;-4.5027,1.7691,1.0076;-3.6272,1.7284,2.2928;-4.1283,1.2421,4.6151;-4.4224,1.8793,3.4133;-4.9869,3.0309,.8783;-3.6572,1.5486,-.0342;-2.8988,.5913,2.331;-2.7883,1.3047,4.9065;-4.8303,2.1079,5.7091;-4.5764,-.2626,4.5898;-2.7256,2.7526,2.2579;-4.6835,1.5264,6.9153;-6.1266,2.2899,5.4744;-3.7196,-1.0043,5.3513;-5.8136,-.3703,5.1529;-4.2435,3.3169,5.7696;-4.6221,-.6468,3.569; 0.000000 1.470885 0.000000 1.485812 2.488252 0.000000 1.469062 2.498660 2.495142 0.000000 1.916327 2.668712 2.652607 2.659530 0.000000 2.940989 3.454304 3.030887 4.024894 1.555617 0.000000 4.150613 4.048604 3.772773 5.573942 3.664935 2.424989 0.000000 3.199117 3.140875 3.265796 4.542140 2.409589 1.382321 1.391682 0.000000 2.698445 2.875363 3.796033 3.223435 1.357674 2.355033 4.230856 2.840926 0.000000 2.701912 3.804290 3.231347 2.844213 1.359661 2.334065 4.683065 3.546824 2.190396 0.000000 3.344267 4.174093 2.840940 4.350397 2.389735 1.350825 2.674368 2.269752 3.524430 2.661823 0.000000 5.119467 5.256336 4.619803 6.450702 4.284397 2.777494 1.372787 2.286924 4.902990 5.022374 2.674776 0.000000 5.136867 4.604130 4.990845 6.575540 4.725033 3.641761 1.561797 2.342867 4.920609 5.888409 4.176359 2.336411 0.000000 3.959301 3.989737 3.111988 5.367382 4.118938 3.184542 1.570181 2.448629 4.979034 5.050403 2.940398 2.398796 2.633718 0.000000 4.134786 4.580046 4.359810 5.029249 2.385009 1.364913 3.131383 2.230853 2.663426 2.751469 2.169381 3.019150 4.093395 4.237294 0.000000 6.175534 5.664986 5.791505 7.640826 5.915436 4.745937 2.383284 3.529365 6.228979 7.024833 5.007523 2.770567 1.347073 2.935979 5.198846 0.000000 4.859418 3.980874 4.946045 6.257348 4.781346 4.084808 2.414499 2.705768 4.792932 6.082127 4.815136 3.526708 1.329943 3.114708 4.703953 2.177554 0.000000 5.154418 5.325481 4.096116 6.492064 5.212785 4.102508 2.399045 3.544756 6.156026 5.960256 3.513154 2.529208 3.323784 1.365361 4.967041 3.127272 4.081846 0.000000 4.290007 3.911396 3.598853 5.698890 4.845576 4.167183 2.393579 3.165844 5.524845 5.936197 4.169464 3.466854 2.723537 1.363605 5.260176 2.825010 2.697831 2.196922 0.000000 5.826381 5.319878 5.877597 7.183437 5.013984 3.871931 2.377265 2.766038 4.955734 6.095449 4.589265 2.628956 1.345294 3.783654 3.867147 2.170715 2.165221 4.372954 4.054802 0.000000 3.149294 3.492736 2.093382 4.470616 3.523028 2.874025 2.214943 2.538810 4.571465 4.328237 2.456718 2.993382 3.494526 1.091692 4.107490 3.990553 3.810389 2.029556 2.001281 4.549464 0.000000 0.5099157 0.2402187 0.2215399 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 346.1001319999998 AuxInfo=1/0/N:5;6;7;13;14;9;10;11;12;15;16;17;18;19;20;2;3;4;8;1;21/rA:21nS0O0O0O0C0C0C0O0F0F0F0F0C0C0F0F0F0F0F0F0H0/rB:;;;;;;;;;;;;;;;;;;;;/rC:-5.9461,.5093,.9562;-6.9927,1.1648,1.7553;-5.3309,-.6805,1.5992;-6.2099,.377,-.4829;-4.503,1.7692,1.0076;-3.6273,1.7286,2.2927;-4.1284,1.2421,4.615;-4.4225,1.8794,3.4134;-4.9877,3.0308,.8784;-3.6574,1.5492,-.0342;-2.8987,.5919,2.3308;-2.7882,1.3042,4.9062;-4.8296,2.108,5.7094;-4.5768,-.2624,4.5897;-2.7262,2.7532,2.2578;-4.6836,1.5258,6.9153;-6.1258,2.2914,5.4746;-3.7214,-1.0041,5.353;-5.815,-.3694,5.1508;-4.2418,3.3165,5.7706;-4.6209,-.6471,3.569; 0.000000 1.470865 0.000000 1.485838 2.488238 0.000000 1.469060 2.498604 2.495191 0.000000 1.916407 2.668884 2.652662 2.659560 0.000000 2.941072 3.454339 3.031057 4.024996 1.555635 0.000000 4.150631 4.048190 3.773294 5.573999 3.664916 2.425058 0.000000 3.199380 3.140924 3.266439 4.542332 2.409678 1.382426 1.391572 0.000000 2.698564 2.875860 3.796186 3.223246 1.357640 2.355105 4.230828 2.841011 0.000000 2.701923 3.804464 3.231085 2.844333 1.359676 2.334026 4.683092 3.546899 2.190355 0.000000 3.344132 4.173753 2.840788 4.350503 2.389669 1.350704 2.674465 2.269751 3.524378 2.661777 0.000000 5.119204 5.255937 4.619569 6.450526 4.284333 2.777468 1.372884 2.286974 4.903235 5.022225 2.674340 0.000000 5.137549 4.604629 4.992069 6.576109 4.725259 3.641849 1.561772 2.342945 4.920823 5.888544 4.176370 2.336432 0.000000 3.958866 3.988358 3.112342 5.367191 4.118768 3.184632 1.570091 2.448376 4.978683 5.050489 2.940893 2.398632 2.633686 0.000000 4.134846 4.580177 4.359899 5.029281 2.384991 1.364887 3.131450 2.230806 2.663465 2.751414 2.169376 3.019485 4.093148 4.237481 0.000000 6.175543 5.664556 5.792046 7.640812 5.915458 4.746065 2.383273 3.529347 6.229061 7.024886 5.007592 2.770999 1.347052 2.935529 5.199037 0.000000 4.860432 3.981674 4.948068 6.258101 4.781284 4.084602 2.414471 2.705472 4.792406 6.082033 4.815246 3.526714 1.329967 3.115176 4.703027 2.177526 0.000000 5.154711 5.324321 4.097072 6.492836 5.213839 4.103858 2.399063 3.545090 6.156705 5.961934 3.515373 2.529524 3.322688 1.365434 4.968658 3.125210 4.081200 0.000000 4.287623 3.907698 3.597939 5.696614 4.843657 4.166085 2.393416 3.164531 5.522561 5.934648 4.169119 3.467282 2.724020 1.363559 5.259310 2.825782 2.698380 2.196975 0.000000 5.827819 5.321645 5.879076 7.184748 5.014866 3.872315 2.377278 2.766683 4.957003 6.095990 4.589100 2.628635 1.345306 3.783557 3.867040 2.170740 2.165228 4.371795 4.055238 0.000000 3.149607 3.492524 2.094130 4.471157 3.523203 2.874023 2.214861 2.538966 4.571666 4.328352 2.456494 2.992333 3.495011 1.091675 4.107409 3.990347 3.811926 2.029552 2.001259 4.549808 0.000000 0.5099674 0.2402271 0.2215114 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 346.1001319999998 AuxInfo=1/0/N:5;6;7;13;14;9;10;11;12;15;16;17;18;19;20;2;3;4;8;1;21/rA:21nS0O0O0O0C0C0C0O0F0F0F0F0C0C0F0F0F0F0F0F0H0/rB:;;;;;;;;;;;;;;;;;;;;/rC:-5.9462,.5096,.9563;-6.9927,1.1653,1.7553;-5.3312,-.6804,1.5994;-6.2099,.3772,-.4829;-4.5028,1.7692,1.0076;-3.6272,1.7285,2.2928;-4.1284,1.2421,4.6151;-4.4225,1.8794,3.4134;-4.9873,3.0308,.8783;-3.6573,1.5488,-.0341;-2.8987,.5917,2.3309;-2.7883,1.3044,4.9064;-4.8299,2.108,5.7093;-4.5767,-.2624,4.5897;-2.726,2.753,2.2579;-4.6836,1.526,6.9153;-6.1262,2.2909,5.4745;-3.7205,-1.0043,5.3518;-5.8143,-.3698,5.1519;-4.2424,3.3167,5.7703;-4.6217,-.6468,3.5689; 0.000000 1.470868 0.000000 1.485858 2.488259 0.000000 1.469066 2.498614 2.495222 0.000000 1.916412 2.668927 2.652649 2.659542 0.000000 2.941083 3.454406 3.031022 4.024981 1.555638 0.000000 4.150621 4.048260 3.773208 5.573981 3.664907 2.425048 0.000000 3.199343 3.140957 3.266328 4.542299 2.409682 1.382445 1.391546 0.000000 2.698590 2.875950 3.796197 3.223239 1.357634 2.355120 4.230883 2.841092 0.000000 2.701918 3.804498 3.231046 2.844292 1.359683 2.334010 4.683054 3.546897 2.190349 0.000000 3.344178 4.173844 2.840806 4.350507 2.389670 1.350682 2.674439 2.269732 3.524368 2.661723 0.000000 5.119371 5.256090 4.619775 6.450682 4.284416 2.777539 1.372900 2.286956 4.903241 5.022319 2.674570 0.000000 5.137329 4.604426 4.991770 6.575911 4.725192 3.641863 1.561758 2.342901 4.920858 5.888504 4.176364 2.336394 0.000000 3.958921 3.988650 3.112212 5.367201 4.118731 3.184527 1.570143 2.448393 4.978794 5.050307 2.940623 2.398726 2.633743 0.000000 4.134830 4.580184 4.359866 5.029248 2.384971 1.364871 3.131413 2.230803 2.663398 2.751443 2.169374 3.019422 4.093236 4.237343 0.000000 6.175520 5.664613 5.791946 7.640796 5.915435 4.746032 2.383252 3.529307 6.229117 7.024836 5.007542 2.770786 1.347044 2.935737 5.198961 0.000000 4.860068 3.981335 4.947489 6.257792 4.781304 4.084721 2.414447 2.705569 4.792709 6.082068 4.815194 3.526706 1.329981 3.115037 4.703344 2.177542 0.000000 5.154277 5.324454 4.096383 6.492240 5.213108 4.103044 2.399126 3.544821 6.156265 5.960817 3.514092 2.529373 3.323394 1.365411 4.967793 3.126428 4.081755 0.000000 4.288807 3.909241 3.598682 5.697797 4.844613 4.166672 2.393485 3.165160 5.523755 5.935404 4.169339 3.467046 2.723815 1.363590 5.259736 2.825263 2.698270 2.196975 0.000000 5.827356 5.321054 5.878692 7.184293 5.014590 3.872250 2.377269 2.766458 4.956675 6.095850 4.589183 2.628729 1.345306 3.783638 3.867108 2.170738 2.165246 4.372477 4.055067 0.000000 3.149146 3.492055 2.093678 4.470716 3.522912 2.873925 2.214906 2.538745 4.571381 4.328103 2.456640 2.992922 3.494777 1.091678 4.107391 3.990413 3.811174 2.029520 2.001280 4.549655 0.000000 0.5099362 0.2402227 0.2215227 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 346.1001319999998 AuxInfo=1/0/N:5;6;7;13;14;9;10;11;12;15;16;17;18;19;20;2;3;4;8;1;21/rA:21nS0O0O0O0C0C0C0O0F0F0F0F0C0C0F0F0F0F0F0F0H0/rB:;;;;;;;;;;;;;;;;;;;;/rC:-5.9462,.5096,.9563;-6.9927,1.1653,1.7553;-5.3312,-.6804,1.5994;-6.2099,.3772,-.4829;-4.5028,1.7692,1.0076;-3.6272,1.7285,2.2928;-4.1284,1.2421,4.6151;-4.4225,1.8794,3.4134;-4.9873,3.0308,.8783;-3.6573,1.5488,-.0341;-2.8987,.5917,2.3309;-2.7883,1.3044,4.9064;-4.8299,2.108,5.7093;-4.5767,-.2624,4.5897;-2.726,2.753,2.2579;-4.6836,1.526,6.9153;-6.1262,2.2909,5.4745;-3.7205,-1.0043,5.3518;-5.8143,-.3698,5.1519;-4.2424,3.3167,5.7703;-4.6217,-.6468,3.5689; 0.000000 1.470868 0.000000 1.485858 2.488259 0.000000 1.469066 2.498614 2.495222 0.000000 1.916412 2.668927 2.652649 2.659542 0.000000 2.941083 3.454406 3.031022 4.024981 1.555638 0.000000 4.150621 4.048260 3.773208 5.573981 3.664907 2.425048 0.000000 3.199343 3.140957 3.266328 4.542299 2.409682 1.382445 1.391546 0.000000 2.698590 2.875950 3.796197 3.223239 1.357634 2.355120 4.230883 2.841092 0.000000 2.701918 3.804498 3.231046 2.844292 1.359683 2.334010 4.683054 3.546897 2.190349 0.000000 3.344178 4.173844 2.840806 4.350507 2.389670 1.350682 2.674439 2.269732 3.524368 2.661723 0.000000 5.119371 5.256090 4.619775 6.450682 4.284416 2.777539 1.372900 2.286956 4.903241 5.022319 2.674570 0.000000 5.137329 4.604426 4.991770 6.575911 4.725192 3.641863 1.561758 2.342901 4.920858 5.888504 4.176364 2.336394 0.000000 3.958921 3.988650 3.112212 5.367201 4.118731 3.184527 1.570143 2.448393 4.978794 5.050307 2.940623 2.398726 2.633743 0.000000 4.134830 4.580184 4.359866 5.029248 2.384971 1.364871 3.131413 2.230803 2.663398 2.751443 2.169374 3.019422 4.093236 4.237343 0.000000 6.175520 5.664613 5.791946 7.640796 5.915435 4.746032 2.383252 3.529307 6.229117 7.024836 5.007542 2.770786 1.347044 2.935737 5.198961 0.000000 4.860068 3.981335 4.947489 6.257792 4.781304 4.084721 2.414447 2.705569 4.792709 6.082068 4.815194 3.526706 1.329981 3.115037 4.703344 2.177542 0.000000 5.154277 5.324454 4.096383 6.492240 5.213108 4.103044 2.399126 3.544821 6.156265 5.960817 3.514092 2.529373 3.323394 1.365411 4.967793 3.126428 4.081755 0.000000 4.288807 3.909241 3.598682 5.697797 4.844613 4.166672 2.393485 3.165160 5.523755 5.935404 4.169339 3.467046 2.723815 1.363590 5.259736 2.825263 2.698270 2.196975 0.000000 5.827356 5.321054 5.878692 7.184293 5.014590 3.872250 2.377269 2.766458 4.956675 6.095850 4.589183 2.628729 1.345306 3.783638 3.867108 2.170738 2.165246 4.372477 4.055067 0.000000 3.149146 3.492055 2.093678 4.470716 3.522912 2.873925 2.214906 2.538745 4.571381 4.328103 2.456640 2.992922 3.494777 1.091678 4.107391 3.990413 3.811174 2.029520 2.001280 4.549655 0.000000 0.5099362 0.2402227 0.2215227 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 16 8 8 8 6 6 6 8 9 9 9 9 6 6 9 9 9 9 9 9 1 0.010355023 0.014913558 -0.011489577 -0.026165050 0.011331851 0.024903727 0.014674821 -0.033780746 -0.000496292 -0.018807027 -0.000188002 -0.035553672 -0.011275327 -0.005944647 -0.005891414 0.018758198 0.009021144 0.007780838 -0.001032918 0.002484749 0.008012128 0.002025693 0.001592003 0.003605401 -0.001179394 0.007526166 0.002819889 0.005755415 -0.002849774 -0.001069704 0.003080065 -0.009109596 0.000697536 0.005175265 0.002037912 0.003280633 -0.000580001 0.005495569 0.004253172 0.000239654 -0.006903088 -0.016628881 -0.002295596 0.008304546 -0.006108233 0.003858979 -0.009330572 0.007659239 -0.010966003 0.000348147 -0.007241886 0.011876943 -0.009005064 0.003671546 -0.015562761 0.000682542 0.005098343 0.007881901 0.011024595 -0.002403062 0.004182120 0.002348705 0.015100269 0.035553672 0.011024560 7 -1889.15139058 PT12128.900S 2025-09-24T12:07:11.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 S O O O C C C O F F F F C C F F F F F F H 0.282479 -0.230109 -0.323658 -0.061757 -0.575756 0.498186 -0.926284 0.091260 -0.053689 -0.074436 -0.020665 -0.042868 0.740726 0.068571 -0.138814 -0.118895 -0.066213 -0.113875 -0.100954 -0.124092 0.290845 -1.00000 -24.62759 -24.61789 -24.61392 -24.61160 -24.60134 -24.60131 -19.11349 -18.97465 -18.97286 -18.97125 -10.36779 -10.33231 -10.28782 -10.26218 -10.25784 -7.98737 -5.95015 -5.94964 -5.94946 -1.25874 -1.21433 -1.18833 -1.17559 -1.17173 -1.16825 -1.16408 -1.13885 -1.12506 -1.11452 -1.03022 -0.99411 -0.85986 -0.85762 -0.75000 -0.67447 -0.64919 -0.60628 -0.57617 -0.54709 -0.53839 -0.53634 -0.51979 -0.51366 -0.50748 -0.48599 -0.47996 -0.47337 -0.46844 -0.46001 -0.41732 -0.41167 -0.40904 -0.40587 -0.39065 -0.38009 -0.37536 -0.37044 -0.36770 -0.36421 -0.35435 -0.34874 -0.34772 -0.34375 -0.33893 -0.33574 -0.32900 -0.32712 -0.32679 -0.32429 -0.31694 -0.31234 -0.29975 -0.28266 -0.25143 -0.21270 -0.21113 -0.18215 -0.17804 -0.16987 -0.13402 0.09550 0.11100 0.11365 0.12272 0.14083 0.14614 0.14854 0.15279 0.16094 0.16165 0.16358 0.16992 0.17970 0.19046 0.19308 0.19657 0.19805 0.20409 0.20854 0.21171 0.21657 0.22295 0.23121 0.23372 0.24051 0.24173 0.24834 0.25361 0.25779 0.26071 0.26897 0.27556 0.28119 0.28632 0.28906 0.29765 0.30491 0.30886 0.31945 0.32343 0.33264 0.34074 0.34716 0.35460 0.35755 0.36210 0.36815 0.36956 0.37326 0.37610 0.37821 0.38133 0.39307 0.39359 0.39889 0.40428 0.40960 0.41466 0.42282 0.42526 0.42951 0.43033 0.43581 0.43922 0.44405 0.44470 0.44861 0.45497 0.45838 0.46395 0.47064 0.47437 0.48149 0.48377 0.48837 0.49064 0.49355 0.49534 0.50439 0.50636 0.51328 0.51895 0.52344 0.53446 0.53547 0.54393 0.55239 0.56100 0.56379 0.56799 0.57542 0.58239 0.58927 0.59234 0.60117 0.60786 0.62113 0.63488 0.64134 0.66473 0.67402 0.69569 0.70785 0.70879 0.72129 0.73368 0.74040 0.77399 0.78832 0.80271 0.81104 0.82352 0.84089 0.85858 0.86971 0.87143 0.91891 0.92923 0.94648 0.95827 0.98916 0.99289 1.05652 1.08569 1.10811 1.12276 1.14480 1.16926 1.18182 1.19277 1.20689 1.21676 1.24463 1.26735 1.28086 1.29459 1.30530 1.31058 1.32024 1.33013 1.34141 1.34996 1.36084 1.37875 1.40227 1.42633 1.45307 1.45758 1.46423 1.47652 1.49690 1.50280 1.51098 1.51587 1.52095 1.52259 1.53080 1.53983 1.54818 1.55269 1.55531 1.55932 1.57126 1.57366 1.58042 1.58630 1.59019 1.59244 1.60623 1.61328 1.62027 1.62467 1.63153 1.63328 1.64917 1.65568 1.66163 1.67790 1.68162 1.71308 1.72240 1.72950 1.73810 1.76072 1.77929 1.79754 1.80785 1.82733 1.85246 1.88851 1.89981 1.91385 1.92892 1.93884 1.96990 1.99270 2.00721 2.02157 2.03580 2.05246 2.05628 2.06998 2.09502 2.11548 2.13376 2.14887 2.15919 2.17827 2.19750 2.21794 2.23425 2.26907 2.32987 2.35159 2.40758 2.44856 2.64899 2.81551 2.87763 2.89700 2.90702 2.92654 2.94670 2.95040 2.96519 2.97041 2.98085 2.98872 3.00921 3.01390 3.01955 3.02496 3.03335 3.05084 3.06591 3.08874 3.10795 3.12849 3.14767 3.20713 3.22143 3.29272 3.30389 3.31463 3.31752 3.40467 3.52122 3.54014 3.66762 3.72933 3.74310 3.78176 3.81929 3.82417 3.82996 3.84413 3.84863 3.85491 3.85955 3.86039 3.86656 3.86946 3.87640 3.88077 3.88851 3.89433 3.89797 3.90109 3.91316 3.91813 3.92052 3.92938 3.93166 3.94668 3.97313 3.97777 3.98928 4.01281 4.04414 4.07890 4.10071 4.10571 4.13561 4.16931 4.18129 4.21526 4.24325 4.24931 4.25881 4.27698 4.28496 4.32757 4.38587 4.65873 4.68708 4.82174 4.89339 4.94398 5.00740 5.01730 5.03051 5.03742 5.04575 5.16220 5.18386 5.19088 5.20283 5.21995 5.23250 5.26174 5.34823 5.44537 5.45919 5.48204 5.78390 6.38141 6.41298 6.41744 6.43337 6.44054 6.44738 6.45976 6.46684 6.47772 6.47914 6.49353 6.50834 6.51471 6.51585 6.52652 6.53247 6.54505 6.55853 6.56261 6.57130 6.60997 6.61749 6.63919 6.69001 6.76685 6.83081 6.83897 6.84804 6.87563 6.88134 8.33656 17.50493 17.57874 17.63336 23.56482 23.61306 23.67862 23.71651 23.76181 50.00697 50.01753 50.04929 50.09103 66.83350 66.83797 66.84646 66.87849 66.88619 66.89067 66.89594 66.92263 66.92441 66.93539 189.42866 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 S O O O C C C O F F F F C C F F F F F F H 0.379972 -0.252897 -0.365614 -0.174208 -0.402373 0.370363 -1.171767 0.183151 -0.054203 -0.078691 -0.058106 -0.060847 0.792369 0.213024 -0.130170 -0.110609 -0.050459 -0.120382 -0.081997 -0.112872 0.286314 -1.00000 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 26.7864 -3.5483 -8.4456 28.3095 -281.9602 -131.6363 -162.1637 18.5982 40.7157 -7.4047 -90.0402 60.2838 29.7564 18.5982 40.7157 -7.4047 2726.0453 -446.1200 -1313.3831 619.2035 -255.4017 -591.7586 759.8523 -169.3417 -394.9804 35.1268 -23798.9966 -2097.2863 -11316.9163 2662.0038 6363.6595 1985.1365 -1416.7700 5920.3223 -1477.9305 -3458.3923 -5521.3542 -2134.8017 -648.9646 1780.8595 753.8490 0 -1889.1513906 4.411E-9 5.565E-6 -66.9426547,44.8194952,22.1231595,13.8273335,30.2710894,-5.5052313 C01[X(C5H1F10O4S1)] 1.725044 0.8833421 2.597627 0.000012088 0.000002299 0.000006404 -0.000007552 0.000002049 0.000004239 0.000003400 -0.000006235 0.000005366 -0.000002249 -0.000002793 -0.000012146 -0.000010584 -0.000002944 0.000009888 0.000012196 -0.000001112 -0.000006396 0.000002502 0.000007491 -0.000011239 -0.000007379 -0.000001158 0.000010255 0.000000410 0.000001307 -0.000000728 0.000006424 -0.000001389 -0.000005993 -0.000003360 0.000004108 0.000002399 -0.000000064 0.000002441 0.000000028 0.000011010 0.000001467 0.000007137 0.000008441 -0.000008733 0.000003415 -0.000002728 -0.000002981 -0.000000201 -0.000000781 0.000002205 -0.000003901 -0.000009863 0.000000309 -0.000002541 -0.000004139 0.000004485 -0.000003514 -0.000003573 0.000000736 -0.000000029 -0.000003370 -0.000002539 -0.000001262 -0.000000830 0.000000986 -0.000001181 346.1001319999998 AuxInfo=1/0/N:5;6;7;13;14;9;10;11;12;15;16;17;18;19;20;2;3;4;8;1;21/rA:21nS0O0O0O0C0C0C0O0F0F0F0F0C0C0F0F0F0F0F0F0H0/rB:;;;;;;;;;;;;;;;;;;;;/rC:-5.9462,.5096,.9563;-6.9927,1.1653,1.7553;-5.3312,-.6804,1.5994;-6.2099,.3772,-.4829;-4.5028,1.7692,1.0076;-3.6272,1.7285,2.2928;-4.1284,1.2421,4.6151;-4.4225,1.8794,3.4134;-4.9873,3.0308,.8783;-3.6573,1.5488,-.0341;-2.8987,.5917,2.3309;-2.7882,1.3044,4.9064;-4.8299,2.108,5.7093;-4.5767,-.2624,4.5897;-2.726,2.753,2.2579;-4.6836,1.526,6.9153;-6.1262,2.2909,5.4745;-3.7205,-1.0043,5.3518;-5.8143,-.3698,5.1519;-4.2424,3.3167,5.7703;-4.6217,-.6468,3.5689; Gaussian 16 GINC-C151414 ANFRY Original File: 2_3 ES64L-G16RevC.02 RB3LYP 6-311+G(d,p) Freq #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 346.1001319999998 AuxInfo=1/0/N:5;6;7;13;14;9;10;11;12;15;16;17;18;19;20;2;3;4;8;1;21/rA:21nS0O0O0O0C0C0C0O0F0F0F0F0C0C0F0F0F0F0F0F0H0/rB:;;;;;;;;;;;;;;;;;;;;/rC:-5.9462,.5096,.9563;-6.9927,1.1653,1.7553;-5.3312,-.6804,1.5994;-6.2099,.3772,-.4829;-4.5028,1.7692,1.0076;-3.6272,1.7285,2.2928;-4.1284,1.2421,4.6151;-4.4225,1.8794,3.4134;-4.9873,3.0308,.8783;-3.6573,1.5488,-.0341;-2.8987,.5917,2.3309;-2.7883,1.3044,4.9064;-4.8299,2.108,5.7093;-4.5767,-.2624,4.5897;-2.726,2.753,2.2579;-4.6836,1.526,6.9153;-6.1262,2.2909,5.4745;-3.7205,-1.0043,5.3518;-5.8143,-.3698,5.1519;-4.2424,3.3167,5.7703;-4.6217,-.6468,3.5689; Original File: 2_3 Redundant internal coordinates found in file. (old form). Charge = -1 Multiplicity = 1 Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 1 1 1 1 5 5 5 6 6 6 7 7 7 7 13 13 13 14 14 14 2 3 4 5 6 9 10 8 11 15 8 12 13 14 16 17 20 18 19 21 1.4709 1.4859 1.4691 1.9164 1.5556 1.3576 1.3597 1.3824 1.3507 1.3649 1.3915 1.3729 1.5618 1.5701 1.347 1.33 1.3453 1.3654 1.3636 1.0917 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 2 2 3 3 4 1 1 1 6 6 9 5 5 5 8 8 11 8 8 8 12 12 13 6 7 7 7 16 16 17 7 7 7 18 18 19 1 1 1 1 1 1 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 13 13 13 13 13 13 14 14 14 14 14 14 3 4 5 4 5 5 6 9 10 9 10 10 8 11 15 11 15 15 12 13 14 13 14 14 7 16 17 20 17 20 20 18 19 21 19 21 21 114.6092 116.3989 103.1972 115.2203 101.7129 102.7468 115.3979 109.846 109.9599 107.6884 106.1806 107.4275 110.0613 110.4197 109.324 112.2853 108.5807 106.0435 111.6377 104.8463 111.3778 105.3448 109.0009 114.479 121.9027 109.8149 112.9766 109.4969 108.861 107.4645 108.0638 109.4265 109.1408 111.3611 107.2297 110.8865 108.6889 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 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 2 2 2 3 3 3 4 4 4 1 1 1 9 9 9 10 10 10 5 11 15 12 13 14 8 8 8 12 12 12 14 14 14 8 8 8 12 12 12 13 13 13 1 1 1 1 1 1 1 1 1 5 5 5 5 5 5 5 5 5 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 8 8 8 8 8 8 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 6 9 10 6 9 10 6 9 10 8 11 15 8 11 15 8 11 15 7 7 7 6 6 6 16 17 20 16 17 20 16 17 20 18 19 21 18 19 21 18 19 21 81.2008 -40.7339 -158.7577 -37.8403 -159.7749 82.2012 -157.3821 80.6833 -37.3406 -54.978 69.5449 -174.1563 68.1071 -167.37 -51.0712 -177.067 -52.5441 63.7547 146.2432 22.8024 -94.1255 42.7506 156.3084 -79.3514 175.8735 54.138 -66.3528 -66.2016 172.0628 51.572 53.5273 -68.2082 171.3009 147.674 -95.2694 24.7272 24.0602 141.1167 -98.8867 -93.6043 23.4523 143.4488 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. local minimum 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. 0.00081 0.00255 0.00526 0.00703 0.01294 0.03573 0.04860 0.05102 0.06235 0.07776 0.08135 0.09273 0.09853 0.09940 0.10895 0.11220 0.11457 0.12010 0.12752 0.13749 0.14683 0.14944 0.16290 0.18109 0.19258 0.19920 0.20382 0.21071 0.21565 0.22354 0.22511 0.23260 0.24257 0.24766 0.25169 0.26109 0.28354 0.29121 0.31196 0.32695 0.33142 0.33754 0.33847 0.34565 0.35706 0.36059 0.38046 0.41350 0.42189 0.42990 0.47745 0.50365 0.51143 0.52964 0.54266 0.56468 0.64003 Angle between quadratic step and forces= 63.81 degrees. 1 2 0.00005601 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 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 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 2.77954 2.80786 2.77613 3.62149 2.93973 2.56556 2.56943 2.61244 2.55242 2.57923 2.62964 2.59441 2.95129 2.96714 2.54554 2.51330 2.54226 2.58025 2.57681 2.06297 2.00031 2.03154 1.80113 2.01097 1.77523 1.79327 2.01407 1.91718 1.91916 1.87952 1.85320 1.87496 1.92093 1.92719 1.90806 1.95975 1.89509 1.85081 1.94845 1.82991 1.94391 1.83861 1.90242 1.99803 2.12760 1.91663 1.97181 1.91108 1.89998 1.87561 1.88607 1.90985 1.90487 1.94362 1.87151 1.93533 1.89698 1.41722 -0.71094 -2.77085 -0.66044 -2.78860 1.43468 -2.74684 1.40819 -0.65172 -0.95955 1.21379 -3.03960 1.18869 -2.92116 -0.89136 -3.09040 -0.91707 1.11273 2.55243 0.39798 -1.64280 0.74614 2.72810 -1.38494 3.06957 0.94489 -1.15808 -1.15544 3.00306 0.90010 0.93423 -1.19046 2.98977 2.57740 -1.66276 0.43157 0.41993 2.46295 -1.72590 -1.63370 0.40932 2.50365 0.00001 0.00001 0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00002 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 0.00001 0.00002 -0.00002 -0.00001 -0.00000 0.00003 0.00004 -0.00002 -0.00002 -0.00003 0.00001 0.00000 0.00003 -0.00002 0.00003 -0.00001 -0.00003 0.00002 0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00000 0.00001 0.00002 -0.00001 -0.00000 -0.00001 -0.00001 -0.00002 0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00001 0.00001 -0.00001 0.00001 -0.00001 -0.00005 0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00001 -0.00002 -0.00000 0.00001 0.00002 -0.00002 0.00002 0.00000 0.00001 0.00002 0.00000 0.00000 0.00002 0.00000 0.00000 -0.00004 -0.00006 -0.00003 -0.00001 -0.00003 -0.00000 -0.00003 -0.00005 -0.00002 -0.00007 -0.00006 -0.00007 0.00008 0.00007 0.00007 0.00003 0.00004 0.00005 0.00003 0.00004 0.00004 0.00002 0.00003 0.00004 -0.00000 0.00000 -0.00003 -0.00001 -0.00001 -0.00004 0.00001 0.00002 -0.00002 0.00002 0.00001 0.00002 -0.00002 -0.00001 -0.00000 0.00003 0.00004 -0.00002 -0.00002 -0.00003 0.00001 0.00000 0.00003 -0.00002 0.00003 -0.00001 -0.00003 0.00002 0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00000 0.00001 0.00002 -0.00001 -0.00000 -0.00001 -0.00001 -0.00002 0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00001 0.00001 -0.00001 0.00001 -0.00001 -0.00005 0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00001 -0.00002 -0.00000 0.00001 0.00002 -0.00002 0.00002 0.00000 0.00001 0.00002 0.00000 0.00000 0.00002 0.00000 0.00000 -0.00004 -0.00006 -0.00003 -0.00001 -0.00003 -0.00000 -0.00003 -0.00005 -0.00002 -0.00007 -0.00006 -0.00007 0.00008 0.00007 0.00007 0.00003 0.00004 0.00005 0.00003 0.00004 0.00004 0.00002 0.00003 0.00004 -0.00000 0.00000 -0.00003 -0.00001 -0.00001 -0.00004 0.00001 0.00002 -0.00002 2.77955 2.80788 2.77615 3.62147 2.93972 2.56556 2.56946 2.61248 2.55240 2.57921 2.62961 2.59442 2.95130 2.96717 2.54553 2.51333 2.54225 2.58023 2.57683 2.06298 2.00031 2.03154 1.80114 2.01097 1.77523 1.79327 2.01408 1.91719 1.91916 1.87952 1.85319 1.87496 1.92091 1.92720 1.90807 1.95974 1.89509 1.85082 1.94844 1.82992 1.94392 1.83860 1.90243 1.99802 2.12755 1.91663 1.97181 1.91109 1.89998 1.87562 1.88606 1.90986 1.90485 1.94362 1.87152 1.93535 1.89696 1.41724 -0.71094 -2.77084 -0.66042 -2.78860 1.43469 -2.74682 1.40819 -0.65171 -0.95959 1.21373 -3.03963 1.18868 -2.92119 -0.89137 -3.09043 -0.91711 1.11271 2.55236 0.39792 -1.64287 0.74622 2.72817 -1.38488 3.06960 0.94492 -1.15803 -1.15541 3.00310 0.90015 0.93425 -1.19043 2.98980 2.57740 -1.66276 0.43154 0.41992 2.46295 -1.72594 -1.63369 0.40933 2.50363 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000018 0.000004 0.000198 0.000056 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.379321e-09 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 1 1 1 1 5 5 5 6 6 6 7 7 7 7 13 13 13 14 14 14 2 3 4 5 6 9 10 8 11 15 8 12 13 14 16 17 20 18 19 21 1.4709 1.4859 1.4691 1.9164 1.5556 1.3576 1.3597 1.3824 1.3507 1.3649 1.3915 1.3729 1.5618 1.5701 1.347 1.33 1.3453 1.3654 1.3636 1.0917 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 2 3 3 4 1 1 1 6 6 9 5 5 5 8 8 11 8 8 8 12 12 13 6 7 7 7 16 16 17 7 7 7 18 18 19 1 1 1 1 1 1 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 13 13 13 13 13 13 14 14 14 14 14 14 3 4 5 4 5 5 6 9 10 9 10 10 8 11 15 11 15 15 12 13 14 13 14 14 7 16 17 20 17 20 20 18 19 21 19 21 21 114.6092 116.3989 103.1972 115.2203 101.7129 102.7468 115.3979 109.846 109.9599 107.6884 106.1806 107.4275 110.0613 110.4197 109.324 112.2853 108.5807 106.0435 111.6377 104.8463 111.3778 105.3448 109.0009 114.479 121.9027 109.8149 112.9766 109.4969 108.861 107.4645 108.0638 109.4265 109.1408 111.3611 107.2297 110.8865 108.6889 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 2 3 3 3 4 4 4 1 1 1 9 9 9 10 10 10 5 11 15 12 13 14 8 8 8 12 12 12 14 14 14 8 8 8 12 12 12 13 13 1 1 1 1 1 1 1 1 1 5 5 5 5 5 5 5 5 5 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 8 8 8 8 8 8 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 6 9 10 6 9 10 6 9 10 8 11 15 8 11 15 8 11 15 7 7 7 6 6 6 16 17 20 16 17 20 16 17 20 18 19 21 18 19 21 18 19 81.2008 -40.7339 -158.7577 -37.8403 -159.7749 82.2012 -157.3821 80.6833 -37.3406 -54.978 69.5449 -174.1563 68.1071 -167.37 -51.0712 -177.067 -52.5441 63.7547 146.2432 22.8024 -94.1255 42.7506 156.3084 -79.3514 175.8735 54.138 -66.3528 -66.2016 172.0628 51.572 53.5273 -68.2082 171.3009 147.674 -95.2694 24.7272 24.0602 141.1167 -98.8867 -93.6043 23.4523 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 6-311+G(d,p) (5D, 7F) 21 21 21 1.00e+00 60 F 0.000000 1.470868 0.000000 1.485858 2.488259 0.000000 1.469066 2.498614 2.495222 0.000000 1.916412 2.668927 2.652649 2.659542 0.000000 2.941083 3.454406 3.031022 4.024981 1.555638 0.000000 4.150621 4.048260 3.773208 5.573981 3.664907 2.425048 0.000000 3.199343 3.140957 3.266328 4.542299 2.409682 1.382445 1.391546 0.000000 2.698590 2.875950 3.796197 3.223239 1.357634 2.355120 4.230883 2.841092 0.000000 2.701918 3.804498 3.231046 2.844292 1.359683 2.334010 4.683054 3.546897 2.190349 0.000000 3.344178 4.173844 2.840806 4.350507 2.389670 1.350682 2.674439 2.269732 3.524368 2.661723 0.000000 5.119371 5.256090 4.619775 6.450682 4.284416 2.777539 1.372900 2.286956 4.903241 5.022319 2.674570 0.000000 5.137329 4.604426 4.991770 6.575911 4.725192 3.641863 1.561758 2.342901 4.920858 5.888504 4.176364 2.336394 0.000000 3.958921 3.988650 3.112212 5.367201 4.118731 3.184527 1.570143 2.448393 4.978794 5.050307 2.940623 2.398726 2.633743 0.000000 4.134830 4.580184 4.359866 5.029248 2.384971 1.364871 3.131413 2.230803 2.663398 2.751443 2.169374 3.019422 4.093236 4.237343 0.000000 6.175520 5.664613 5.791946 7.640796 5.915435 4.746032 2.383252 3.529307 6.229117 7.024836 5.007542 2.770786 1.347044 2.935737 5.198961 0.000000 4.860068 3.981335 4.947489 6.257792 4.781304 4.084721 2.414447 2.705569 4.792709 6.082068 4.815194 3.526706 1.329981 3.115037 4.703344 2.177542 0.000000 5.154277 5.324454 4.096383 6.492240 5.213108 4.103044 2.399126 3.544821 6.156265 5.960817 3.514092 2.529373 3.323394 1.365411 4.967793 3.126428 4.081755 0.000000 4.288807 3.909241 3.598682 5.697797 4.844613 4.166672 2.393485 3.165160 5.523755 5.935404 4.169339 3.467046 2.723815 1.363590 5.259736 2.825263 2.698270 2.196975 0.000000 5.827356 5.321054 5.878692 7.184293 5.014590 3.872250 2.377269 2.766458 4.956675 6.095850 4.589183 2.628729 1.345306 3.783638 3.867108 2.170738 2.165246 4.372477 4.055067 0.000000 3.149146 3.492055 2.093678 4.470716 3.522912 2.873925 2.214906 2.538745 4.571381 4.328103 2.456640 2.992922 3.494777 1.091678 4.107391 3.990413 3.811174 2.029520 2.001280 4.549655 0.000000 0.5099362 0.2402227 0.2215227 1 -1889.15139058 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=111111111111111111111 Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. CalDSu exits because no D1Ps are significant. There are 66 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 63 vectors produced by pass 0 Test12= 4.75D-14 1.52D-09 XBig12= 6.47D+01 1.76D+00. AX will form 63 AO Fock derivatives at one time. 63 vectors produced by pass 1 Test12= 4.75D-14 1.52D-09 XBig12= 2.28D+01 6.13D-01. 63 vectors produced by pass 2 Test12= 4.75D-14 1.52D-09 XBig12= 2.45D-01 4.10D-02. 63 vectors produced by pass 3 Test12= 4.75D-14 1.52D-09 XBig12= 4.69D-03 6.47D-03. 63 vectors produced by pass 4 Test12= 4.75D-14 1.52D-09 XBig12= 2.26D-05 3.43D-04. 63 vectors produced by pass 5 Test12= 4.75D-14 1.52D-09 XBig12= 5.39D-08 1.81D-05. 38 vectors produced by pass 6 Test12= 4.75D-14 1.52D-09 XBig12= 1.07D-10 1.15D-06. 6 vectors produced by pass 7 Test12= 4.75D-14 1.52D-09 XBig12= 1.65D-13 3.83D-08. 2 vectors produced by pass 8 Test12= 4.75D-14 1.52D-09 XBig12= 2.77D-16 1.77D-09. InvSVY: IOpt=1 It= 1 EMax= 7.11D-15 Solved reduced A of dimension 424 with 66 vectors. Isotropic polarizability for W= 0.000000 103.77 Bohr**3. End of Minotr F.D. properties file 721 does not exist. PT6928.100S 2025-09-24T12:22:35.000 -24.62759 -24.61789 -24.61392 -24.61160 -24.60134 -24.60131 -19.11349 -18.97465 -18.97286 -18.97125 -10.36779 -10.33231 -10.28782 -10.26218 -10.25784 -7.98737 -5.95015 -5.94964 -5.94946 -1.25874 -1.21433 -1.18833 -1.17559 -1.17173 -1.16825 -1.16408 -1.13885 -1.12506 -1.11452 -1.03022 -0.99411 -0.85986 -0.85762 -0.75000 -0.67447 -0.64919 -0.60628 -0.57617 -0.54709 -0.53839 -0.53634 -0.51979 -0.51366 -0.50748 -0.48599 -0.47996 -0.47337 -0.46844 -0.46001 -0.41732 -0.41167 -0.40904 -0.40587 -0.39065 -0.38009 -0.37536 -0.37044 -0.36770 -0.36421 -0.35435 -0.34874 -0.34772 -0.34375 -0.33893 -0.33574 -0.32900 -0.32712 -0.32679 -0.32429 -0.31694 -0.31234 -0.29975 -0.28266 -0.25143 -0.21270 -0.21113 -0.18215 -0.17804 -0.16987 -0.13402 0.09550 0.11100 0.11365 0.12272 0.14083 0.14614 0.14854 0.15279 0.16094 0.16165 0.16358 0.16992 0.17970 0.19046 0.19308 0.19657 0.19805 0.20409 0.20854 0.21171 0.21657 0.22295 0.23121 0.23372 0.24051 0.24173 0.24834 0.25361 0.25779 0.26071 0.26897 0.27556 0.28119 0.28632 0.28906 0.29765 0.30491 0.30886 0.31945 0.32343 0.33264 0.34074 0.34716 0.35460 0.35755 0.36210 0.36815 0.36956 0.37326 0.37610 0.37821 0.38133 0.39307 0.39359 0.39889 0.40428 0.40960 0.41466 0.42282 0.42526 0.42951 0.43033 0.43581 0.43922 0.44405 0.44470 0.44861 0.45497 0.45838 0.46395 0.47064 0.47437 0.48149 0.48377 0.48837 0.49064 0.49355 0.49534 0.50439 0.50636 0.51328 0.51895 0.52344 0.53446 0.53547 0.54393 0.55239 0.56100 0.56379 0.56799 0.57542 0.58239 0.58927 0.59234 0.60117 0.60786 0.62113 0.63488 0.64134 0.66473 0.67402 0.69569 0.70785 0.70879 0.72129 0.73368 0.74040 0.77399 0.78832 0.80271 0.81104 0.82352 0.84089 0.85858 0.86971 0.87143 0.91891 0.92923 0.94648 0.95827 0.98916 0.99289 1.05652 1.08569 1.10811 1.12276 1.14480 1.16926 1.18182 1.19277 1.20689 1.21676 1.24463 1.26735 1.28086 1.29459 1.30530 1.31058 1.32024 1.33013 1.34141 1.34996 1.36084 1.37875 1.40227 1.42633 1.45307 1.45758 1.46423 1.47652 1.49690 1.50280 1.51098 1.51587 1.52095 1.52259 1.53080 1.53983 1.54818 1.55269 1.55531 1.55932 1.57126 1.57366 1.58042 1.58630 1.59019 1.59244 1.60623 1.61328 1.62027 1.62467 1.63153 1.63328 1.64917 1.65568 1.66163 1.67790 1.68162 1.71308 1.72240 1.72950 1.73810 1.76072 1.77929 1.79754 1.80785 1.82733 1.85246 1.88851 1.89981 1.91385 1.92892 1.93884 1.96990 1.99270 2.00721 2.02157 2.03580 2.05246 2.05628 2.06998 2.09502 2.11548 2.13376 2.14887 2.15919 2.17827 2.19750 2.21794 2.23425 2.26907 2.32987 2.35159 2.40758 2.44856 2.64899 2.81551 2.87763 2.89700 2.90702 2.92654 2.94670 2.95040 2.96519 2.97041 2.98085 2.98872 3.00921 3.01390 3.01955 3.02496 3.03335 3.05084 3.06591 3.08874 3.10795 3.12849 3.14767 3.20713 3.22143 3.29272 3.30389 3.31463 3.31752 3.40467 3.52122 3.54014 3.66762 3.72933 3.74310 3.78176 3.81929 3.82417 3.82996 3.84413 3.84863 3.85491 3.85955 3.86039 3.86656 3.86946 3.87640 3.88077 3.88851 3.89433 3.89797 3.90109 3.91316 3.91813 3.92052 3.92938 3.93166 3.94668 3.97313 3.97777 3.98928 4.01281 4.04414 4.07890 4.10071 4.10571 4.13561 4.16931 4.18129 4.21526 4.24325 4.24931 4.25881 4.27698 4.28496 4.32757 4.38587 4.65873 4.68708 4.82174 4.89339 4.94398 5.00740 5.01730 5.03051 5.03742 5.04575 5.16220 5.18386 5.19088 5.20283 5.21995 5.23250 5.26174 5.34823 5.44537 5.45919 5.48204 5.78390 6.38141 6.41298 6.41744 6.43337 6.44054 6.44738 6.45976 6.46684 6.47772 6.47914 6.49353 6.50834 6.51471 6.51585 6.52652 6.53247 6.54505 6.55853 6.56261 6.57130 6.60997 6.61749 6.63919 6.69001 6.76685 6.83081 6.83897 6.84804 6.87563 6.88134 8.33656 17.50493 17.57874 17.63336 23.56482 23.61306 23.67862 23.71651 23.76181 50.00697 50.01753 50.04929 50.09103 66.83350 66.83797 66.84646 66.87849 66.88619 66.89067 66.89594 66.92263 66.92441 66.93539 189.42866 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 S O O O C C C O F F F F C C F F F F F F H 0.379972 -0.252897 -0.365614 -0.174208 -0.402372 0.370363 -1.171768 0.183151 -0.054203 -0.078690 -0.058106 -0.060847 0.792369 0.213025 -0.130170 -0.110609 -0.050459 -0.120382 -0.081997 -0.112872 0.286314 -1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 S O O O C C C O F F F F C C F F F F F F 0.379972 -0.252897 -0.365614 -0.174208 -0.402372 0.370363 -1.171768 0.183151 -0.054203 -0.078690 -0.058106 -0.060847 0.792369 0.499339 -0.130170 -0.110609 -0.050459 -0.120382 -0.081997 -0.112872 -1.00000 100.063 3.349 97.626 3.615 -1.081 113.616 145.611 -3.548 140.358 0.214 -2.982 145.718 -3.1316 -2.5667 -0.0013 -0.0011 -0.0009 2.9680 22.8414 39.4182 50.2437 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 22.8385 39.4118 50.2423 69.7491 71.1329 90.3670 97.0635 144.5043 160.0718 197.7716 204.2724 210.1562 228.4777 242.3972 260.3568 273.9947 300.0323 303.8432 315.4354 319.6533 349.6929 357.0801 435.2784 457.5283 500.3244 517.5584 520.2572 536.6099 556.2593 567.1635 598.9101 608.9436 620.4289 646.2712 723.2039 769.5815 790.1268 925.8763 991.0909 1053.9317 1067.7287 1086.2484 1099.1616 1105.5588 1116.6476 1122.7296 1158.0625 1176.0212 1197.0539 1201.4310 1214.0057 1240.3002 1279.9170 1305.5736 1383.8053 1461.0882 3102.6897 18.1172 16.2572 12.4492 16.6134 17.9848 16.7688 15.7185 16.4659 15.8420 16.9523 17.4583 17.7184 16.7378 17.9290 17.9174 18.0549 18.3805 18.1452 17.9657 17.7651 17.1554 16.7611 17.2562 15.2000 17.5079 16.8587 17.0358 16.2024 16.2748 14.9630 18.3195 17.8863 14.1081 8.8105 14.5628 12.3546 13.7877 13.7805 15.7891 10.8272 9.6323 9.7331 10.0034 12.6679 12.7710 12.1789 12.2913 12.4903 11.2568 11.9147 9.1171 19.6961 9.5622 7.4043 1.1710 1.3968 1.0944 0.0056 0.0149 0.0185 0.0476 0.0536 0.0807 0.0873 0.2026 0.2392 0.3907 0.4292 0.4611 0.5148 0.6207 0.7156 0.7986 0.9749 0.9870 1.0532 1.0695 1.2360 1.2592 1.9263 1.8747 2.5822 2.6607 2.7168 2.7488 2.9670 2.8359 3.8716 3.9077 3.1996 2.1681 4.4876 4.3111 5.0715 6.9602 9.1376 7.0858 6.4700 6.7664 7.1207 9.1226 9.3822 9.0450 9.7121 10.1778 9.5037 10.1328 7.9168 17.8519 9.2293 7.4359 1.3212 1.7568 6.2072 0.3937 1.7280 2.1259 0.5666 0.3353 2.2179 3.7152 4.0403 0.9003 0.6278 0.3796 0.0705 0.4004 1.4844 0.3970 1.8551 0.5491 1.1026 0.1880 0.8961 0.5551 0.9801 7.5801 2.3282 41.9506 6.0638 12.4692 2.5135 6.4810 14.9543 65.5466 87.2953 56.7358 44.4666 26.5832 11.0786 13.3041 123.2344 22.1057 140.0845 51.3331 30.6962 269.9894 73.5958 202.0894 126.7963 254.6446 494.1882 502.8250 132.9951 143.9098 438.5628 141.2318 114.8947 9.6180 11.5896 56.5160 -0.08 0.13 0.03 -0.00 0.27 0.01 -0.21 0.08 0.06 -0.09 0.12 0.03 0.07 -0.04 -0.01 0.03 -0.07 0.01 -0.01 0.02 0.01 0.02 -0.01 -0.01 0.22 0.01 -0.08 0.06 -0.18 0.02 -0.04 -0.13 0.05 -0.03 0.13 0.08 -0.14 -0.01 -0.05 0.09 -0.03 0.00 0.11 -0.14 0.01 -0.06 0.09 -0.01 -0.16 -0.21 -0.07 0.34 -0.02 -0.28 0.24 -0.18 0.32 -0.31 0.08 -0.12 -0.14 0.06 -0.02 0.03 -0.03 0.14 0.23 -0.18 0.53 0.20 -0.13 -0.22 -0.33 0.24 0.19 0.03 -0.04 0.00 0.08 0.04 -0.02 -0.00 0.04 -0.02 0.13 0.13 -0.00 0.03 -0.05 -0.05 -0.01 -0.12 -0.02 0.08 0.04 0.04 -0.02 -0.00 0.09 -0.08 0.01 -0.05 -0.04 0.05 -0.12 0.09 0.03 -0.13 -0.20 -0.05 -0.06 -0.05 0.06 -0.15 -0.06 -0.02 -0.17 -0.04 0.05 -0.12 -0.05 -0.01 0.06 -0.06 0.10 -0.14 0.07 -0.07 -0.09 0.03 -0.21 -0.02 0.12 -0.10 -0.19 0.08 0.05 -0.10 -0.01 0.02 0.03 -0.02 -0.01 0.03 -0.07 0.01 0.02 -0.03 0.03 0.03 -0.09 -0.01 0.11 0.02 0.14 0.02 -0.07 -0.04 0.05 -0.06 -0.09 0.02 0.03 0.08 0.03 -0.20 0.04 -0.00 0.01 -0.04 0.03 0.11 0.15 0.05 0.01 0.10 0.11 -0.02 -0.13 -0.38 -0.03 0.07 0.39 0.06 0.07 -0.09 -0.55 0.16 -0.04 0.01 0.01 0.00 -0.01 -0.09 0.07 0.06 -0.01 -0.09 -0.01 0.11 -0.00 -0.04 0.08 0.07 0.07 -0.14 -0.03 0.06 -0.04 0.01 0.09 -0.12 -0.03 -0.11 0.09 0.41 -0.15 0.35 -0.08 -0.05 -0.22 -0.12 0.05 -0.00 0.06 -0.04 0.04 -0.12 0.10 -0.05 0.09 0.20 -0.25 0.01 -0.09 0.19 -0.04 -0.03 -0.06 -0.22 0.03 0.04 0.27 0.04 -0.04 -0.06 -0.10 0.07 -0.23 0.24 -0.14 0.12 0.03 0.04 -0.01 0.12 -0.01 0.16 0.08 -0.02 -0.18 -0.12 0.19 0.00 0.05 -0.01 -0.03 -0.02 0.01 0.02 -0.05 -0.05 -0.01 -0.10 -0.10 -0.03 0.10 0.01 -0.12 0.09 -0.09 0.02 0.04 0.05 0.00 -0.04 -0.06 -0.07 0.03 -0.01 -0.00 -0.05 -0.05 0.04 -0.08 0.06 0.12 0.45 0.20 0.05 -0.07 -0.31 0.31 -0.16 0.00 0.21 -0.12 -0.02 -0.13 -0.20 0.12 -0.35 0.10 -0.12 0.05 0.04 0.04 0.16 0.03 0.13 0.08 0.06 0.13 0.32 0.03 -0.19 0.19 0.03 0.06 0.00 0.06 0.07 -0.02 -0.02 -0.16 -0.03 0.01 -0.18 -0.04 -0.01 0.05 0.01 -0.04 0.06 -0.05 0.26 0.20 -0.14 -0.03 -0.25 -0.00 -0.01 -0.02 -0.14 -0.11 -0.14 0.01 -0.12 0.24 0.09 -0.10 0.14 -0.06 0.01 0.02 -0.24 -0.09 -0.21 -0.09 -0.06 -0.08 0.15 0.05 -0.04 -0.29 -0.24 -0.10 0.00 0.02 -0.04 0.10 -0.04 0.06 -0.06 -0.03 0.04 0.30 0.14 -0.26 0.10 0.00 0.01 0.04 0.10 0.03 -0.03 0.03 0.07 -0.02 0.21 0.24 0.03 -0.06 -0.00 0.12 -0.08 0.07 -0.03 -0.01 -0.04 0.03 0.01 -0.03 0.13 -0.02 -0.02 0.02 -0.07 0.10 -0.21 0.21 -0.07 -0.21 0.19 -0.01 0.00 -0.07 -0.22 0.15 -0.15 -0.05 -0.27 -0.10 0.13 -0.25 -0.21 0.08 -0.02 -0.09 0.21 -0.24 -0.13 -0.03 -0.08 -0.21 -0.07 -0.15 -0.27 -0.14 -0.15 0.05 0.20 -0.14 -0.05 -0.10 0.13 0.04 0.04 0.09 0.13 -0.04 0.14 0.17 0.04 0.17 -0.05 -0.10 0.09 -0.03 -0.16 0.16 0.18 0.13 0.12 0.11 -0.09 0.27 0.05 0.05 0.03 0.12 -0.03 -0.06 -0.10 0.16 -0.08 -0.06 0.26 0.14 0.08 0.01 -0.12 0.02 -0.15 -0.06 0.05 -0.07 -0.23 0.05 0.07 -0.12 0.22 0.07 -0.10 -0.02 0.02 -0.09 -0.02 0.01 -0.08 -0.02 0.01 -0.11 -0.04 0.07 -0.09 -0.01 -0.02 -0.06 0.10 0.01 -0.11 0.10 -0.01 0.03 0.23 0.00 0.01 -0.01 -0.02 -0.04 -0.08 -0.02 -0.12 0.21 0.09 -0.15 0.08 -0.10 0.14 -0.01 -0.08 0.02 -0.08 0.03 0.21 -0.00 0.11 -0.28 0.01 -0.16 -0.01 -0.02 -0.24 -0.04 -0.12 0.02 0.24 -0.02 0.27 0.40 -0.18 -0.01 0.16 -0.24 -0.09 0.26 0.01 0.08 -0.05 -0.15 -0.18 -0.05 0.44 0.33 0.00 -0.06 -0.13 -0.01 -0.12 0.14 -0.08 -0.10 0.02 -0.03 0.02 -0.05 0.12 0.10 0.08 0.13 0.11 0.21 -0.29 -0.11 -0.11 -0.02 -0.23 -0.05 -0.12 -0.00 -0.15 0.26 -0.00 0.02 0.09 0.04 -0.07 0.04 0.01 -0.08 -0.17 -0.07 0.16 0.17 0.00 0.04 0.06 0.03 -0.08 0.06 0.02 -0.19 -0.03 0.04 0.01 0.01 0.13 -0.02 0.02 0.03 -0.02 -0.09 0.29 0.31 -0.01 -0.11 -0.08 -0.06 -0.19 -0.14 -0.03 0.05 -0.08 -0.12 0.07 -0.06 -0.09 -0.14 -0.01 0.04 0.08 -0.04 -0.04 -0.11 -0.13 0.05 0.05 0.19 -0.18 0.18 0.01 -0.06 -0.18 -0.03 0.28 -0.09 0.07 0.07 -0.01 -0.07 0.03 -0.02 0.01 -0.21 -0.00 0.03 0.05 -0.11 0.27 0.33 0.08 0.06 0.05 -0.01 -0.33 -0.03 0.08 -0.00 0.02 0.10 -0.06 0.02 -0.06 0.02 0.03 -0.32 -0.28 -0.05 0.10 0.09 0.01 0.12 0.12 -0.01 0.03 -0.04 0.05 0.16 -0.08 -0.05 -0.13 0.03 -0.07 -0.02 -0.11 -0.15 0.32 0.11 0.27 -0.29 -0.23 -0.15 0.34 0.04 -0.00 -0.15 0.11 -0.01 -0.07 0.04 -0.03 -0.05 0.01 -0.02 0.05 0.02 0.01 0.06 -0.11 -0.12 -0.10 0.20 0.22 0.04 0.10 -0.04 -0.04 -0.09 -0.01 0.03 -0.01 -0.01 -0.04 -0.00 -0.02 0.08 0.05 0.10 -0.02 -0.04 0.05 -0.08 -0.04 0.08 0.36 0.30 0.02 -0.03 0.01 0.07 -0.01 0.12 -0.01 -0.12 -0.03 -0.10 0.06 0.28 0.02 -0.16 -0.06 -0.07 -0.02 -0.07 0.10 -0.16 0.04 0.15 -0.11 -0.26 -0.09 -0.01 -0.05 -0.09 -0.10 -0.06 0.02 0.09 0.03 -0.27 0.03 -0.08 -0.13 -0.02 0.01 -0.02 0.08 0.27 0.15 -0.03 -0.26 0.12 0.08 -0.10 -0.18 -0.06 -0.22 0.07 -0.05 0.03 -0.11 0.02 0.09 -0.08 0.21 0.18 -0.07 -0.34 -0.26 -0.03 0.00 -0.07 0.02 -0.06 -0.06 0.08 -0.01 -0.02 -0.05 -0.05 0.14 0.05 0.18 0.05 0.31 0.07 0.05 0.05 0.03 0.03 0.56 0.01 -0.06 -0.13 0.04 -0.06 -0.07 -0.03 -0.01 -0.01 -0.17 0.03 -0.25 0.03 -0.05 -0.07 0.05 -0.09 -0.14 0.01 0.08 0.04 -0.01 -0.01 0.04 0.06 -0.07 -0.12 -0.04 -0.07 0.02 -0.19 -0.14 -0.02 -0.24 -0.22 -0.02 -0.20 -0.15 -0.04 -0.31 -0.23 0.01 0.10 0.15 -0.01 0.13 0.17 0.03 -0.04 0.01 -0.04 0.12 0.16 0.01 0.14 0.16 -0.14 0.25 0.20 0.08 0.02 0.10 -0.07 -0.05 -0.20 0.08 0.01 -0.01 -0.05 -0.06 0.03 -0.01 0.30 0.06 0.26 0.05 -0.07 -0.09 -0.00 -0.00 -0.03 0.06 0.23 0.04 -0.02 -0.09 0.05 0.01 -0.01 -0.05 -0.05 -0.04 0.02 0.02 -0.02 -0.01 0.06 0.03 0.00 -0.04 -0.06 -0.02 0.01 -0.03 -0.01 0.03 -0.02 -0.01 0.03 -0.01 -0.02 -0.02 0.07 0.02 -0.03 0.03 -0.02 0.11 0.02 0.10 -0.08 -0.04 -0.09 0.07 0.02 -0.06 0.07 -0.29 -0.40 0.10 0.17 0.14 -0.14 0.03 0.02 0.01 0.02 -0.02 -0.02 0.23 0.19 0.11 -0.08 -0.14 -0.01 0.11 -0.04 -0.11 -0.36 -0.02 -0.18 0.30 0.44 -0.05 0.12 -0.02 -0.06 0.03 0.05 -0.20 -0.16 0.04 0.03 0.12 0.12 -0.04 0.10 0.05 0.02 -0.03 0.07 -0.03 -0.11 -0.06 -0.00 0.03 -0.00 0.01 -0.13 -0.06 0.00 -0.04 0.07 0.50 0.13 0.39 0.06 -0.06 -0.22 0.01 0.13 -0.08 -0.01 0.10 -0.05 -0.02 -0.05 0.05 -0.14 -0.04 -0.37 0.09 -0.07 -0.14 -0.01 0.14 0.00 -0.08 -0.17 0.01 -0.03 -0.14 0.01 -0.11 0.15 0.11 0.01 0.03 0.02 0.01 -0.07 0.03 0.06 -0.05 0.08 -0.17 -0.18 0.00 0.08 -0.05 0.02 0.03 0.05 0.02 -0.04 0.02 -0.06 -0.01 -0.07 -0.03 -0.01 0.04 0.01 0.31 0.18 0.14 0.10 0.05 0.07 -0.07 0.01 -0.22 0.02 -0.04 -0.25 -0.10 -0.13 0.14 0.06 0.00 -0.07 -0.10 0.05 -0.27 -0.31 0.18 0.33 -0.12 -0.07 0.24 0.07 0.07 -0.01 0.06 0.22 -0.02 0.10 -0.24 -0.15 0.01 -0.10 -0.03 0.05 -0.10 0.02 0.20 0.02 0.11 -0.22 -0.28 -0.05 0.17 -0.11 -0.00 -0.03 0.11 -0.00 -0.15 0.07 -0.02 0.02 0.04 0.03 -0.02 0.06 0.05 0.38 0.29 0.09 -0.13 0.01 -0.06 -0.29 0.00 -0.05 -0.01 0.12 0.24 0.05 0.06 -0.09 0.00 -0.05 0.07 -0.22 0.12 -0.09 0.20 -0.12 -0.21 0.07 0.06 -0.15 -0.09 -0.18 0.06 -0.01 -0.14 0.03 -0.03 0.11 0.03 0.03 -0.00 0.05 0.04 0.02 -0.04 0.12 0.14 -0.03 0.13 0.06 -0.06 -0.03 -0.08 -0.02 -0.08 -0.06 0.13 -0.10 -0.08 0.02 -0.02 0.01 0.01 0.03 -0.07 0.05 -0.01 -0.04 0.26 0.02 -0.23 0.26 -0.07 -0.07 -0.36 -0.04 -0.29 0.21 0.01 0.01 -0.04 -0.04 0.17 -0.08 -0.23 0.02 0.13 0.07 -0.09 -0.11 0.01 -0.00 -0.06 0.18 0.42 -0.13 -0.03 0.15 -0.07 -0.03 0.03 -0.01 -0.05 0.14 -0.07 -0.02 0.01 0.06 -0.11 -0.18 0.10 -0.10 0.03 0.18 0.11 0.18 0.03 0.07 -0.05 -0.17 -0.06 -0.17 -0.05 -0.03 -0.01 0.04 -0.12 -0.21 -0.08 0.12 -0.03 -0.17 0.11 0.29 -0.25 0.06 -0.12 0.16 -0.09 -0.04 0.28 0.08 -0.03 0.04 -0.08 0.11 -0.05 -0.26 -0.05 -0.07 0.07 0.08 0.11 0.12 -0.19 -0.15 0.09 0.28 -0.12 -0.09 0.07 -0.07 0.11 -0.05 0.10 -0.10 0.13 -0.05 0.01 0.00 -0.02 0.03 0.06 -0.04 0.04 0.00 -0.06 -0.05 -0.06 -0.01 -0.02 0.01 0.07 0.04 0.05 -0.00 -0.07 0.07 0.03 0.00 0.05 -0.01 -0.05 -0.00 0.08 -0.00 -0.12 0.13 0.05 0.05 -0.21 -0.10 0.49 0.07 0.09 -0.09 0.04 -0.22 0.04 0.01 0.13 -0.01 -0.03 0.03 0.09 0.15 0.13 -0.30 -0.18 -0.15 0.14 -0.04 -0.21 -0.26 0.09 0.27 -0.18 -0.03 -0.27 0.11 -0.02 -0.03 0.02 0.01 0.08 0.11 0.11 -0.05 -0.11 -0.22 0.16 -0.22 -0.00 -0.21 0.20 0.13 -0.02 -0.04 0.05 -0.04 -0.07 0.03 -0.16 -0.33 -0.08 -0.09 0.31 -0.24 -0.16 0.03 0.34 0.26 0.10 0.16 -0.08 -0.04 0.01 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.16 -0.21 -0.20 0.06 0.01 0.01 0.01 0.02 -0.05 0.10 0.05 -0.04 -0.04 0.10 -0.05 -0.03 0.01 0.06 0.01 -0.01 0.01 -0.02 0.01 -0.02 0.03 -0.01 0.07 -0.03 0.01 -0.02 0.07 -0.04 -0.03 -0.08 0.00 0.03 -0.00 -0.14 0.09 0.21 0.06 0.14 0.21 -0.03 0.19 0.04 0.04 -0.17 -0.09 0.12 0.03 0.12 -0.12 0.03 0.37 0.10 -0.11 0.06 0.03 0.02 -0.13 0.15 0.06 -0.18 -0.05 0.07 -0.23 -0.22 -0.07 0.03 0.03 0.18 -0.08 0.17 -0.09 -0.18 -0.19 0.03 -0.05 0.10 -0.26 -0.18 0.32 0.00 -0.09 0.11 -0.26 0.25 -0.29 0.51 -0.27 0.33 0.23 0.16 -0.18 -0.33 -0.06 -0.01 -0.09 -0.04 -0.04 -0.01 -0.03 0.01 -0.04 0.03 0.13 0.02 -0.08 0.03 0.08 0.05 -0.10 -0.00 0.10 0.05 -0.01 -0.04 -0.00 -0.01 -0.02 -0.01 -0.01 0.02 -0.01 -0.04 0.00 -0.08 0.09 0.03 0.04 -0.00 -0.03 0.00 -0.02 -0.04 -0.03 0.04 0.07 -0.00 0.01 0.01 -0.03 0.03 0.02 -0.02 -0.04 0.15 -0.13 -0.12 0.18 -0.14 -0.15 -0.08 0.01 0.41 -0.29 0.26 -0.09 -0.01 0.09 -0.02 -0.07 0.13 -0.01 0.08 0.03 0.08 -0.22 -0.26 -0.11 -0.05 0.13 0.09 -0.01 -0.13 0.03 -0.10 0.19 0.05 0.09 -0.05 0.09 0.10 0.07 0.01 -0.02 0.07 0.09 0.20 -0.02 -0.12 -0.18 -0.11 -0.04 0.10 -0.10 0.12 0.04 0.01 -0.04 -0.08 -0.01 -0.03 0.04 0.16 -0.09 0.01 0.19 0.06 0.11 -0.12 -0.08 0.13 -0.05 -0.15 -0.01 -0.02 0.29 -0.21 0.22 -0.06 -0.08 -0.02 0.10 -0.03 -0.07 0.13 -0.09 -0.11 0.07 0.12 0.16 0.25 0.10 0.02 -0.13 -0.16 0.11 0.07 0.15 -0.00 -0.08 -0.08 0.09 -0.14 -0.09 -0.15 0.08 -0.03 -0.10 0.01 -0.07 -0.13 0.01 0.28 -0.02 0.17 -0.01 0.27 -0.23 0.12 0.01 -0.01 -0.10 0.06 -0.03 -0.21 -0.19 -0.03 -0.06 -0.17 0.04 0.02 -0.11 -0.01 0.07 0.05 -0.11 0.05 -0.05 0.13 -0.07 0.15 -0.01 -0.13 -0.04 0.07 -0.08 -0.13 0.02 -0.09 0.18 -0.05 -0.00 0.25 0.04 0.08 0.05 -0.12 -0.12 0.12 0.14 0.23 -0.00 -0.06 -0.12 -0.09 -0.02 -0.03 0.15 -0.11 0.10 0.13 -0.05 -0.16 -0.23 0.08 -0.08 0.11 -0.24 -0.16 -0.27 0.08 -0.17 -0.08 0.04 0.25 -0.03 0.03 0.30 0.06 0.11 0.21 0.19 -0.07 0.08 0.00 -0.05 0.05 -0.08 -0.04 -0.07 0.00 0.09 -0.11 0.01 -0.02 0.01 0.12 0.06 0.18 -0.03 -0.01 0.08 -0.10 -0.09 0.31 -0.19 -0.07 -0.09 0.13 -0.05 -0.06 -0.05 0.10 -0.11 -0.28 0.14 0.12 0.07 -0.05 -0.12 0.04 -0.17 -0.07 -0.12 0.03 -0.05 0.29 0.03 0.06 0.27 -0.19 -0.27 -0.07 0.07 0.12 0.02 -0.02 -0.17 0.02 -0.02 0.14 -0.12 0.24 -0.16 -0.21 0.07 -0.05 0.01 -0.00 -0.02 0.02 0.06 0.02 0.04 -0.05 0.06 -0.04 -0.02 0.01 -0.08 0.02 -0.02 0.01 0.06 -0.11 0.02 0.12 0.00 0.14 0.15 0.07 -0.12 -0.01 -0.01 0.06 -0.05 0.01 0.07 -0.08 -0.15 0.02 -0.08 0.03 0.13 -0.02 -0.04 -0.12 0.34 0.03 -0.04 -0.01 -0.08 -0.05 -0.13 0.01 -0.17 0.03 0.45 -0.21 0.00 -0.38 0.15 -0.12 0.16 0.16 -0.01 0.03 -0.13 0.36 -0.26 -0.21 0.01 0.04 0.22 0.10 0.24 0.05 0.05 0.17 0.13 -0.12 -0.08 -0.13 -0.06 -0.15 0.10 -0.04 0.17 -0.00 0.05 -0.11 -0.11 0.04 0.11 -0.09 0.05 0.06 0.05 -0.06 -0.09 0.30 -0.01 0.34 -0.02 0.05 -0.15 -0.03 -0.09 -0.02 0.08 0.07 0.13 -0.12 -0.01 0.14 0.16 -0.10 -0.29 0.07 -0.03 -0.01 0.05 -0.05 -0.12 -0.06 0.01 0.02 -0.24 0.10 -0.06 0.16 0.05 0.27 0.25 0.06 -0.12 -0.21 -0.11 -0.24 -0.09 -0.13 -0.12 -0.14 0.21 0.09 0.09 -0.13 -0.16 -0.01 0.04 0.08 0.05 0.15 -0.11 0.06 0.15 -0.10 0.06 0.08 0.12 -0.13 -0.17 0.07 0.22 -0.04 0.21 -0.04 0.00 -0.13 0.02 -0.03 0.01 0.11 0.11 -0.07 -0.29 -0.02 0.11 0.07 -0.09 -0.24 0.02 -0.05 0.02 -0.00 -0.02 -0.07 -0.04 -0.01 0.07 -0.14 0.04 0.02 0.24 0.06 -0.08 -0.13 0.06 -0.01 0.11 -0.04 0.09 -0.09 0.03 0.06 0.11 0.02 -0.07 0.15 -0.25 -0.06 -0.08 -0.18 0.03 -0.05 -0.18 0.13 0.20 -0.05 -0.22 0.36 0.10 0.23 -0.21 -0.11 0.14 -0.01 0.07 0.02 0.05 0.04 0.08 -0.05 -0.03 -0.06 -0.19 -0.04 -0.17 -0.18 0.12 -0.07 0.03 0.03 0.12 0.02 0.06 0.10 -0.02 0.02 -0.12 0.02 0.01 -0.07 0.03 0.02 -0.13 -0.41 0.04 -0.06 -0.07 0.01 0.00 0.05 0.02 0.05 -0.01 0.01 0.03 0.03 -0.03 0.03 0.09 -0.07 0.09 -0.03 0.01 -0.08 0.18 0.21 0.01 -0.04 0.03 -0.12 0.16 0.02 0.09 -0.10 -0.08 0.03 -0.17 0.02 -0.09 -0.07 -0.09 -0.10 0.07 0.12 0.09 0.32 0.22 0.01 0.12 -0.03 0.10 -0.13 0.10 -0.13 -0.01 -0.13 -0.01 -0.08 -0.02 0.04 -0.03 -0.04 0.08 -0.04 -0.09 0.27 0.61 0.12 -0.04 -0.03 0.01 -0.02 0.04 0.01 0.04 -0.02 0.01 0.02 0.02 -0.01 0.05 0.05 -0.03 -0.07 0.03 0.22 -0.07 -0.31 0.20 0.25 -0.29 0.42 -0.05 0.05 0.03 0.10 -0.07 -0.19 -0.08 0.14 -0.00 -0.21 0.10 -0.15 -0.02 0.06 0.02 -0.03 -0.17 -0.21 0.04 -0.05 -0.06 -0.00 -0.02 -0.11 -0.04 -0.06 -0.01 -0.11 0.16 -0.03 0.17 0.06 0.00 0.10 0.19 0.03 -0.07 -0.17 -0.23 -0.01 -0.01 -0.00 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.04 0.02 0.01 0.01 0.00 0.10 -0.03 0.01 0.12 -0.02 -0.03 0.14 -0.02 0.02 -0.00 0.02 -0.02 -0.06 0.01 -0.03 -0.02 -0.15 -0.00 -0.04 0.13 -0.15 -0.18 0.05 0.26 0.18 0.02 0.02 -0.04 -0.09 0.25 -0.28 0.34 0.03 0.17 -0.02 -0.02 -0.03 0.02 -0.03 -0.03 -0.24 -0.31 0.07 0.17 0.50 0.10 0.04 0.03 0.01 0.01 -0.03 -0.03 -0.04 0.01 -0.02 -0.00 -0.00 0.05 -0.17 -0.08 -0.09 -0.07 -0.02 -0.25 0.02 0.09 -0.11 0.52 -0.20 -0.20 0.07 -0.07 0.02 -0.02 0.04 0.10 -0.18 0.31 0.11 -0.20 -0.00 -0.08 -0.00 0.01 -0.01 0.04 0.23 0.16 -0.08 -0.15 0.12 0.00 -0.03 0.11 0.03 0.00 -0.00 0.01 -0.06 -0.01 -0.00 -0.03 -0.02 -0.02 -0.04 -0.02 0.14 0.33 0.14 -0.02 0.01 -0.03 -0.14 0.10 0.14 0.11 -0.15 0.10 -0.05 -0.04 -0.26 0.58 0.28 0.39 0.22 0.10 0.13 -0.02 0.07 -0.11 0.05 -0.03 -0.11 -0.07 -0.03 -0.05 -0.07 -0.03 -0.05 -0.09 0.11 -0.02 0.02 -0.01 0.02 -0.01 -0.00 -0.01 -0.00 0.04 0.01 -0.24 -0.23 -0.05 -0.00 -0.01 0.04 0.00 -0.00 -0.00 0.02 -0.03 0.02 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.02 0.03 0.01 -0.13 -0.17 0.01 0.33 -0.17 -0.22 -0.19 0.45 -0.22 0.08 0.04 0.39 0.14 -0.04 0.34 0.24 0.18 0.05 -0.06 0.04 -0.12 -0.01 -0.05 0.02 -0.05 0.06 -0.04 0.03 -0.02 -0.10 -0.04 0.02 -0.01 0.02 -0.00 0.01 0.01 -0.02 -0.02 0.03 0.02 0.01 -0.13 -0.13 -0.03 -0.00 -0.00 0.02 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.01 0.00 0.01 0.00 0.06 -0.04 0.04 0.01 -0.01 0.01 -0.01 0.00 0.01 -0.01 0.02 -0.01 -0.01 -0.01 -0.03 0.07 0.04 -0.02 -0.09 0.19 -0.03 0.34 -0.33 -0.14 -0.06 0.08 0.03 0.01 -0.03 0.01 -0.02 0.00 0.02 0.06 -0.09 -0.00 -0.16 0.01 -0.01 -0.01 -0.23 -0.23 0.38 0.06 0.27 -0.01 -0.03 -0.00 0.01 -0.02 0.10 -0.08 0.03 0.02 -0.13 0.10 -0.14 -0.12 -0.04 0.03 0.06 0.16 0.04 0.34 0.16 0.26 -0.02 -0.02 -0.01 0.02 -0.01 -0.02 -0.00 0.03 -0.01 0.01 0.01 0.05 0.08 -0.01 0.06 -0.29 0.08 0.21 0.52 0.08 0.10 0.03 0.01 -0.14 -0.01 0.01 -0.00 0.00 -0.00 -0.04 0.06 -0.06 -0.02 -0.19 -0.01 -0.03 0.03 -0.00 -0.04 -0.24 0.14 -0.27 0.02 0.01 -0.01 0.00 -0.01 0.02 -0.06 0.02 0.01 0.13 -0.10 0.15 -0.01 -0.03 0.02 -0.00 -0.02 -0.00 -0.39 0.19 -0.32 0.00 0.02 -0.01 -0.00 -0.00 0.00 0.01 -0.03 0.02 -0.00 -0.00 0.00 -0.09 -0.01 0.07 -0.05 -0.05 0.14 0.00 0.29 -0.01 0.05 -0.07 -0.02 0.00 0.01 -0.01 0.04 -0.01 -0.06 -0.01 0.01 -0.01 -0.03 -0.04 -0.01 -0.15 -0.01 0.16 0.53 -0.07 -0.31 0.02 0.02 -0.01 0.00 0.02 -0.06 0.08 -0.01 -0.00 -0.04 0.00 0.00 -0.29 -0.02 0.17 0.00 -0.02 -0.02 0.43 -0.19 -0.28 0.03 0.02 0.02 -0.03 0.01 0.02 0.01 -0.03 0.02 -0.02 -0.01 -0.07 -0.22 -0.00 -0.12 0.34 0.46 -0.22 -0.03 -0.07 0.01 -0.07 -0.07 0.15 0.04 -0.06 0.03 0.01 0.00 0.03 0.02 -0.09 0.03 0.00 0.01 -0.00 -0.03 -0.20 0.11 -0.06 0.22 -0.26 -0.10 -0.12 0.01 -0.00 0.03 -0.07 -0.00 0.01 -0.01 0.10 -0.09 0.12 -0.05 -0.02 0.05 0.03 0.08 0.00 -0.11 0.37 -0.33 -0.04 -0.01 0.04 0.05 -0.03 -0.04 -0.01 0.06 -0.03 0.00 0.00 -0.01 0.45 -0.21 -0.35 -0.03 0.24 -0.20 0.04 -0.05 0.45 0.04 0.05 -0.13 -0.04 0.07 0.02 -0.17 0.04 0.22 0.01 -0.04 0.02 -0.02 -0.00 -0.04 -0.08 0.15 0.18 0.09 -0.22 -0.02 -0.06 -0.07 0.02 0.01 0.01 -0.11 0.06 -0.02 -0.00 -0.05 0.07 -0.05 -0.01 0.03 0.02 -0.02 -0.08 -0.02 0.17 -0.02 -0.11 0.05 -0.08 0.02 -0.03 0.04 0.03 -0.05 0.10 -0.05 -0.01 0.00 -0.03 -0.31 0.57 0.17 -0.09 0.23 -0.12 0.06 0.04 0.29 0.03 0.04 -0.16 0.10 -0.26 0.03 0.08 -0.05 -0.09 0.08 -0.10 0.04 -0.02 -0.01 -0.03 -0.01 0.20 0.06 -0.01 -0.25 0.10 -0.05 -0.06 0.01 0.00 -0.01 -0.04 0.03 -0.02 0.00 -0.06 0.07 -0.07 0.05 0.03 -0.03 -0.03 -0.10 -0.02 0.13 -0.19 0.09 -0.06 -0.06 0.01 0.08 -0.04 -0.06 -0.03 0.07 -0.04 0.02 0.02 0.08 0.28 0.53 -0.17 -0.15 -0.38 -0.28 -0.06 -0.09 -0.04 -0.03 0.01 0.16 0.03 -0.19 0.02 -0.10 -0.02 0.12 0.00 0.05 0.03 0.01 0.01 0.00 -0.02 -0.18 0.11 0.03 0.19 -0.16 0.06 0.08 0.00 -0.00 0.03 -0.05 -0.01 0.01 -0.01 0.05 -0.05 0.07 -0.06 -0.02 0.04 0.03 0.08 0.00 -0.07 0.22 -0.18 -0.08 0.10 -0.05 0.09 -0.05 -0.05 0.06 -0.13 0.07 0.01 -0.00 0.06 -0.14 -0.08 0.33 0.21 -0.29 -0.17 0.16 -0.25 0.37 -0.05 0.16 -0.23 -0.02 0.06 -0.04 0.08 -0.00 -0.09 -0.08 0.12 0.01 -0.04 0.02 -0.03 -0.11 -0.29 0.23 -0.00 -0.02 0.04 -0.02 0.02 0.03 0.00 0.06 -0.14 0.01 0.02 -0.01 -0.01 0.03 -0.01 0.02 0.00 -0.01 0.04 0.10 -0.00 -0.14 0.27 -0.08 -0.10 0.11 -0.02 0.12 -0.07 -0.08 0.06 -0.13 0.07 0.01 -0.00 0.04 -0.05 0.05 0.02 0.31 -0.13 -0.25 0.17 -0.03 0.13 -0.13 0.02 0.17 0.00 -0.02 -0.01 0.01 0.00 0.01 -0.06 0.06 0.01 -0.09 -0.00 -0.02 0.18 0.47 -0.43 0.11 -0.04 -0.17 -0.03 -0.00 0.01 0.00 -0.09 0.16 -0.04 -0.02 0.03 0.00 0.01 0.03 -0.07 -0.00 0.05 -0.06 -0.15 0.02 -0.01 0.13 -0.26 0.16 -0.14 0.16 -0.12 0.08 0.07 -0.12 0.23 -0.12 -0.06 -0.02 -0.25 -0.00 -0.09 0.01 0.25 -0.25 -0.16 0.32 0.24 0.01 -0.11 -0.02 0.15 -0.02 0.06 -0.02 -0.00 0.01 0.01 -0.07 0.09 0.00 -0.14 -0.02 -0.02 0.12 -0.09 0.09 -0.04 -0.11 0.01 -0.00 0.02 0.01 -0.01 0.02 -0.04 -0.07 0.02 -0.01 -0.02 0.03 -0.03 0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.09 -0.51 0.19 -0.12 0.13 -0.01 0.14 -0.09 -0.10 0.08 -0.15 0.08 0.02 -0.00 0.04 0.01 0.06 -0.05 -0.01 0.11 0.02 0.09 0.17 -0.18 0.01 -0.06 0.07 0.01 -0.04 0.01 -0.01 -0.00 0.01 0.02 -0.04 0.00 -0.09 -0.01 0.01 0.58 -0.06 0.41 0.03 -0.10 0.13 -0.01 -0.02 -0.01 -0.04 0.05 -0.12 -0.23 0.04 -0.06 -0.04 0.03 -0.06 0.02 0.00 -0.02 -0.06 -0.06 -0.04 0.04 -0.33 0.23 -0.09 0.08 -0.04 0.09 -0.06 -0.06 0.06 -0.11 0.06 0.03 0.01 0.08 -0.00 0.09 -0.15 0.11 0.04 0.02 0.16 0.42 -0.01 -0.03 -0.07 0.11 0.01 -0.05 0.02 -0.02 -0.00 0.04 -0.01 -0.00 -0.00 -0.04 -0.04 -0.02 -0.36 -0.24 -0.15 -0.13 -0.19 0.13 -0.02 -0.02 -0.01 0.02 0.01 0.04 0.12 0.00 0.02 -0.03 0.03 -0.04 0.08 0.01 -0.06 0.06 0.07 0.01 -0.28 -0.46 0.24 -0.13 0.14 0.47 0.37 -0.23 -0.30 -0.00 0.02 -0.05 -0.09 -0.06 -0.58 -0.06 0.02 0.07 -0.15 0.02 0.10 -0.10 -0.06 -0.03 0.05 0.01 -0.06 0.01 -0.01 -0.00 0.04 -0.00 -0.05 0.03 -0.02 -0.01 0.05 0.00 0.01 -0.14 0.00 -0.05 -0.04 0.06 -0.01 0.02 0.01 -0.01 0.01 -0.01 0.02 0.06 -0.01 0.01 0.02 -0.02 0.02 0.01 -0.00 -0.00 0.02 0.02 0.01 0.01 0.09 -0.03 -0.00 -0.04 0.03 0.01 0.00 -0.01 -0.03 0.05 -0.03 0.01 0.02 0.00 -0.10 0.14 -0.35 0.27 -0.10 0.46 -0.09 0.00 0.20 0.02 0.06 -0.21 0.02 -0.06 0.03 -0.03 -0.00 0.06 -0.07 0.08 -0.04 0.02 0.00 -0.00 0.23 -0.20 -0.19 0.03 -0.06 -0.04 -0.06 -0.03 -0.03 -0.01 -0.00 0.04 -0.10 0.03 0.00 0.00 0.00 0.01 -0.02 0.01 0.02 0.00 0.05 0.02 0.21 0.41 -0.25 -0.01 -0.01 0.00 0.02 -0.01 -0.01 -0.00 0.00 -0.00 0.01 0.01 0.02 -0.07 0.08 -0.19 0.21 -0.06 0.24 0.20 -0.22 -0.21 -0.05 0.04 -0.03 0.01 -0.03 0.01 -0.01 -0.00 0.03 -0.04 0.04 -0.02 -0.04 0.01 0.01 -0.23 0.30 0.28 0.03 0.13 0.06 -0.03 -0.02 -0.02 0.01 -0.00 -0.07 0.09 -0.03 -0.01 -0.01 -0.00 -0.01 0.01 -0.03 -0.03 -0.01 -0.07 -0.02 -0.47 -0.37 0.29 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.02 -0.02 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 -0.01 0.00 0.00 -0.09 0.05 -0.03 -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 0.03 0.00 0.00 0.00 0.92 -0.37 0.11 0.00 -0.00 0.00 -0.00 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 0.05 0.01 -0.09 -0.01 -0.00 0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.04 0.03 0.05 -0.05 -0.12 0.04 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 -0.00 0.01 0.01 0.01 0.00 0.01 0.01 0.00 -0.01 -0.00 0.38 0.83 -0.36 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -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 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 0.37 0.92 16 8 8 8 6 6 6 8 9 9 9 9 6 6 9 9 9 9 9 9 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 16 8 8 8 6 6 6 8 9 9 9 9 6 6 9 9 9 9 9 9 1 31.97207 15.99491 15.99491 15.99491 12.00000 12.00000 12.00000 15.99491 18.99840 18.99840 18.99840 18.99840 12.00000 12.00000 18.99840 18.99840 18.99840 18.99840 18.99840 18.99840 1.00783 346.94359 3539.15068 7512.78380 8146.97932 0.12537 0.67228 0.7296 0.04353 0.73097 -0.68102 0.99115 -0.11714 -0.06237 asymmetric 1 0.02447 0.01153 0.01063 0.50994 0.24022 0.22152 229957.6 32.86 56.70 72.29 100.35 102.34 130.02 139.65 207.91 230.31 284.55 293.90 302.37 328.73 348.76 374.60 394.22 431.68 437.16 453.84 459.91 503.13 513.76 626.27 658.28 719.86 744.65 748.53 772.06 800.33 816.02 861.70 876.13 892.66 929.84 1040.53 1107.26 1136.82 1332.13 1425.96 1516.37 1536.22 1562.87 1581.45 1590.65 1606.61 1615.36 1666.19 1692.03 1722.29 1728.59 1746.68 1784.52 1841.52 1878.43 1990.99 2102.18 4464.08 0.087586 0.106335 0.107279 0.038927 -1889.063804 -1889.045056 -1889.044112 -1889.112464 66.726 66.375 143.859 0.000 0.000 0.000 0.889 2.981 43.426 0.889 2.981 33.737 64.949 60.413 66.696 1 0.593 1.985 6.371 2 0.594 1.981 5.288 3 0.595 1.977 4.808 4 0.598 1.969 4.160 5 0.598 1.968 4.122 6 0.602 1.956 3.652 7 0.603 1.951 3.512 8 0.616 1.909 2.743 9 0.622 1.891 2.549 10 0.637 1.843 2.154 11 0.640 1.834 2.094 12 0.642 1.825 2.042 13 0.651 1.798 1.891 14 0.659 1.775 1.785 15 0.668 1.745 1.659 16 0.676 1.721 1.571 17 0.693 1.674 1.417 18 0.695 1.666 1.396 19 0.703 1.644 1.334 20 0.706 1.636 1.312 21 0.727 1.576 1.168 22 0.732 1.561 1.135 23 0.796 1.393 0.842 24 0.816 1.344 0.773 25 0.856 1.249 0.657 26 0.873 1.211 0.616 27 0.875 1.205 0.609 28 0.892 1.169 0.573 29 0.912 1.126 0.531 30 0.923 1.102 0.510 31 0.957 1.034 0.452 32 0.968 1.013 0.435 33 0.980 0.989 0.416 0.124459e-17 -17.904974 -41.227725 0.240913e+23 22.381861 51.536140 0.930016e-33 -33.031510 -76.057862 1 0.906889e+01 0.957554 2.204850 2 0.525001e+01 0.720160 1.658231 3 0.411442e+01 0.614309 1.414499 4 0.295702e+01 0.470854 1.084182 5 0.289895e+01 0.462241 1.064349 6 0.227508e+01 0.356996 0.822014 7 0.211555e+01 0.325423 0.749313 8 0.140539e+01 0.147797 0.340314 9 0.126294e+01 0.101382 0.233442 10 0.100906e+01 0.003918 0.009023 11 0.974514e+00 -0.011212 -0.025816 12 0.945029e+00 -0.024555 -0.056540 13 0.862618e+00 -0.064182 -0.147784 14 0.808035e+00 -0.092570 -0.213149 15 0.745889e+00 -0.127326 -0.293178 16 0.703902e+00 -0.152488 -0.351116 17 0.633842e+00 -0.198019 -0.455956 18 0.624543e+00 -0.204438 -0.470735 19 0.597562e+00 -0.223617 -0.514897 20 0.588203e+00 -0.230472 -0.530682 21 0.527709e+00 -0.277606 -0.639210 22 0.514298e+00 -0.288785 -0.664952 23 0.398638e+00 -0.399421 -0.919701 24 0.372513e+00 -0.428859 -0.987485 25 0.328398e+00 -0.483600 -1.113529 26 0.312573e+00 -0.505049 -1.162918 27 0.310184e+00 -0.508381 -1.170589 28 0.296197e+00 -0.528420 -1.216731 29 0.280423e+00 -0.552186 -1.271456 30 0.272119e+00 -0.565241 -1.301515 31 0.249598e+00 -0.602759 -1.387903 32 0.242952e+00 -0.614479 -1.414889 33 0.235602e+00 -0.627821 -1.445611 0.180022e+08 7.255325 16.706003 1 0.958267e+01 0.981486 2.259956 2 0.577377e+01 0.761459 1.753325 3 0.464469e+01 0.666957 1.535725 4 0.349899e+01 0.543943 1.252476 5 0.344175e+01 0.536780 1.235981 6 0.282937e+01 0.451690 1.040055 7 0.267383e+01 0.427134 0.983512 8 0.199168e+01 0.299220 0.688980 9 0.185831e+01 0.269119 0.619669 10 0.162615e+01 0.211160 0.486214 11 0.159530e+01 0.202842 0.467061 12 0.156915e+01 0.195664 0.450533 13 0.149705e+01 0.175236 0.403497 14 0.145022e+01 0.161434 0.371716 15 0.139797e+01 0.145498 0.335022 16 0.136341e+01 0.134627 0.309989 17 0.130731e+01 0.116380 0.267975 18 0.130003e+01 0.113955 0.262390 19 0.127915e+01 0.106923 0.246199 20 0.127200e+01 0.104487 0.240590 21 0.122696e+01 0.088832 0.204543 22 0.121729e+01 0.085394 0.196626 23 0.113946e+01 0.056700 0.130557 24 0.112351e+01 0.050577 0.116458 25 0.109820e+01 0.040682 0.093674 26 0.108966e+01 0.037292 0.085868 27 0.108840e+01 0.036788 0.084708 28 0.108115e+01 0.033885 0.078023 29 0.107327e+01 0.030708 0.070709 30 0.106925e+01 0.029080 0.066960 31 0.105884e+01 0.024829 0.057172 32 0.105590e+01 0.023623 0.054394 33 0.105273e+01 0.022316 0.051385 0.100000e+01 0.000000 0.000000 0.254005e+09 8.404842 19.352864 0.526858e+07 6.721694 15.477272 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 26.7864 -3.5483 -8.4456 28.3096 -281.9603 -131.6363 -162.1636 18.5983 40.7157 -7.4047 -90.0402 60.2838 29.7564 18.5983 40.7157 -7.4047 2726.0456 -446.1201 -1313.3829 619.2035 -255.4018 -591.7587 759.8523 -169.3417 -394.9805 35.1269 -23798.9983 -2097.2863 -11316.9152 2662.0044 6363.6605 1985.1366 -1416.7700 5920.3219 -1477.9304 -3458.3925 -5521.3545 -2134.8018 -648.9650 1780.8597 753.8491 0 -1889.1513906 4.011E-9 5.568E-6 0.0875862 0.1063347 -1889.0450559 -1889.0441117 -1889.112464 -66.9426806,44.8194994,22.1231811,13.8273453,30.271103,-5.5052355 C01 [X(C5H1F10O4S1)] 1.7250463 0.8833414 2.5976272 2.0150517 -0.1554225 0.2732074 -0.1148713 1.9172287 -0.0018495 0.1021214 -0.0057038 2.343477 -1.0916984 0.1194943 0.1571781 0.2204586 -0.6667609 -0.142567 0.2615324 -0.1020743 -0.82102 -0.7153636 0.2200488 -0.2630281 0.1208313 -1.1579206 0.2702204 -0.1630224 0.2770169 -0.9675009 -0.7042826 -0.0633059 -0.2157674 -0.0653487 -0.6330112 -0.0903268 -0.3184622 -0.179318 -1.4140836 0.6790476 -0.2246182 -0.2016944 -0.1165338 1.0075803 -0.0380943 -0.4142226 -0.1718933 0.8495614 1.4438549 0.3058267 -0.5552594 0.1107604 1.3562742 -0.0507706 0.0482639 0.0292787 1.6679556 0.932381 0.0204872 0.3609943 0.0149996 0.5032251 -0.2940691 0.1088215 -0.2027201 1.2869123 -0.5187544 -0.0894664 0.246643 0.0026513 -0.4818598 0.2010708 0.1361688 0.2013334 -1.7165234 -0.3185556 0.1250177 -0.036941 0.10118 -0.9896492 0.0952495 -0.038215 0.1374673 -0.3095703 -0.6656684 -0.0203854 0.3476424 -0.0302589 -0.2791855 -0.003931 0.4081787 -0.009085 -0.7466676 -0.5007705 0.2469203 0.0790841 0.2108867 -0.6067272 -0.0486035 -0.0467696 0.0517242 -0.3950701 -0.8246842 -0.0142308 -0.2905816 -0.0600334 -0.2738553 0.0153396 -0.0982721 -0.0029634 -0.4265953 1.4877639 0.0271099 0.0518202 0.0872082 1.5651922 -0.0172654 0.1057549 -0.0125477 1.6604228 1.2388656 -0.0941825 -0.0174644 -0.1572341 0.9491373 -0.2981926 0.002961 -0.4268799 0.7191915 -0.7352943 -0.4782843 0.079898 -0.4136716 -0.6912656 0.0890172 -0.1119085 -0.0417388 -0.4316984 -0.2835735 0.0364845 -0.0046173 0.0424886 -0.4108235 0.1508196 -0.0511924 0.2273089 -0.9715388 -0.8385599 0.0868705 -0.087385 0.1480211 -0.3059463 -0.0299173 -0.0122853 -0.04008 -0.3484324 -0.5244474 0.2609381 -0.2076171 0.2426461 -0.5954861 0.2716371 -0.270001 0.3159531 -0.5306601 -0.75153 -0.0934082 0.1955252 -0.1024272 -0.3282468 0.054185 0.2690498 0.077661 -0.3836264 -0.3845862 -0.1997386 0.0136388 -0.2535008 -0.8856863 -0.1162739 -0.0192756 -0.1434346 -0.3709295 0.0608043 -0.0161552 0.0747242 0.0117478 0.0077865 -0.015678 0.1007742 0.0206955 0.3063963 100.0634344|3.3488523|97.6260387|3.6145418|-1.0810938|113.6157473 0.000012116 0.000002308 0.000006364 -0.000007579 0.000002053 0.000004264 0.000003397 -0.000006238 0.000005372 -0.000002253 -0.000002790 -0.000012131 -0.000010529 -0.000002986 0.000009818 0.000012313 -0.000001166 -0.000006505 0.000002836 0.000007364 -0.000011034 -0.000007492 -0.000001076 0.000010225 0.000000393 0.000001341 -0.000000727 0.000006385 -0.000001380 -0.000005937 -0.000003402 0.000004140 0.000002408 -0.000000192 0.000002454 -0.000000006 0.000011017 0.000001453 0.000007209 0.000008391 -0.000008747 0.000003414 -0.000002756 -0.000002983 -0.000000189 -0.000000787 0.000002218 -0.000003960 -0.000009913 0.000000321 -0.000002558 -0.000004163 0.000004515 -0.000003543 -0.000003573 0.000000737 -0.000000027 -0.000003374 -0.000002530 -0.000001276 -0.000000833 0.000000993 -0.000001181 346.1001319999998 AuxInfo=1/0/N:5;6;7;13;14;9;10;11;12;15;16;17;18;19;20;2;3;4;8;1;21/rA:21nS0O0O0O0C0C0C0O0F0F0F0F0C0C0F0F0F0F0F0F0H0/rB:;;;;;;;;;;;;;;;;;;;;/rC:-5.9462,.5096,.9563;-6.9927,1.1653,1.7553;-5.3312,-.6804,1.5994;-6.2099,.3772,-.4829;-4.5028,1.7692,1.0076;-3.6272,1.7285,2.2928;-4.1284,1.2421,4.6151;-4.4225,1.8794,3.4134;-4.9873,3.0308,.8783;-3.6573,1.5488,-.0341;-2.8987,.5917,2.3309;-2.7882,1.3044,4.9064;-4.8299,2.108,5.7093;-4.5767,-.2624,4.5897;-2.726,2.753,2.2579;-4.6836,1.526,6.9153;-6.1262,2.2909,5.4745;-3.7205,-1.0043,5.3518;-5.8143,-.3698,5.1519;-4.2424,3.3167,5.7703;-4.6217,-.6468,3.5689;