Orca 5.0.1 RELEASE 1 2 3 4 11s6p2d1f 5s2p1d 11s6p2d1f 7s7p6d2f1g 5s3p2d1f 3s2p1d 5s3p2d1f 6s4p3d2f1g 0 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 C C C C C C C H H H C C H H O O O O O H C H H C H C H H H C H H H C H C C H H H C H H H C H C C H H H C H H H H Ag 1 1 1 1 1 1 1 2 2 2 1 1 2 2 3 3 3 3 3 2 1 2 2 1 2 1 2 2 2 1 2 2 2 1 2 1 1 2 2 2 1 2 2 2 1 2 1 1 2 2 2 1 2 2 2 2 4 1 Ag ECP Def2-ECP 56 Ag 1 440.0898999999999 AuxInfo=1/0/N:37,41,48,52,26,30,34,7,45,21,12,36,47,24,4,11,2,3,5,1,6,15,16,17,18,19;57/E:(1,2)(3,4)(5,6);/CRV:7.3,9.3,12.3,13.3,16.3,17.3,18.3,19.3,20.3,23.1,24.1,25.1;/rA:57C3C3C3CC3CCHHHC3CHHOO1O1O1OHCHHCHCHHHCHHHCHCCHHHCHHHCHC3CHHHCHHHHAg/rB:s1;s2;s3;s4;s1s5;s4;s7;s7;s4;s2;s11;s12;s12;s11;s3;s5;s1;s6;s19;s6;s21;s21;s12;s24;s24;s26;s26;s26;s24;s30;s30;s30;s7;s34;s34;s36;s37;s37;s37;s36;s41;s41;s41;s21;s45;s45;s47;s48;s48;s48;s47;s52;s52;s52;s15;s34s36s45;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Method DFT(GTOs) Exchange WB97X-D3 Correlation WB97X-D3 PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.195728 ScalDFX 0.000000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on Amount of maximum screened exact exchange 0.804272 Range separation parameter mu (erf(mu*r12)/r12) 0.250000 RI-approximation to the Coulomb term is turned on functions 1693 RIJ-COSX (HFX calculated with COS-X)) on IntName /scratch/cieritan/Humulone/Ag_Adducts/cis_keto/UVPD/Iso42/Humulone_Ag_cisKeto_42_s1 HFTyp RHF Charge 1 Mult 1 NEL 214 Dim 1282 ENuc 3029.0086462339 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 1 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 5.000e-05 Converg. threshold II (energy diff.) 1.000e-06 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 1.000e-10 Eh TCut 1.000e-11 Eh ConvCheckMode Total+1el-Energy ConvForced 1 TolE 1.000e-06 Eh 1-El. energy change 1.000e-03 Eh TolErr 1.000e-06 Smallest eigenvalue 1.373e-05 Time for diagonalization 0.289 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.701 sec Total time needed 0.999 sec 1 1 wB97X-D3 def2-TZVPP defgrid3 ESD(ABS) maxcore 8192 pal nprocs 8 tddft nroots=15 iroot=1 tda false esd GSHESSIAN "Humulone_Ag_cisKeto_42.hess" hessflag VG unit nm LINES gaussian USEJ FALSE 440.0898999999999 AuxInfo=1/0/N:37,41,48,52,26,30,34,7,45,21,12,36,47,24,4,11,2,3,5,1,6,15,16,17,18,19;57/E:(1,2)(3,4)(5,6);/CRV:7.3,9.3,12.3,13.3,16.3,17.3,18.3,19.3,20.3,23.1,24.1,25.1;/rA:57C3C3C3CC3CCHHHC3CHHOO1O1O1OHCHHCHCHHHCHHHCHCCHHHCHHHCHC3CHHHCHHHHAg/rB:s1;s2;s3;s4;s1s5;s4;s7;s7;s4;s2;s11;s12;s12;s11;s3;s5;s1;s6;s19;s6;s21;s21;s12;s24;s24;s26;s26;s26;s24;s30;s30;s30;s7;s34;s34;s36;s37;s37;s37;s36;s41;s41;s41;s21;s45;s45;s47;s48;s48;s48;s47;s52;s52;s52;s15;s34s36s45;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; -1341.37718094 3029.00864623 -4370.38582718 -7888.79142801 3518.40560084 -2586.71487240 1245.33769146 2.07711923 106.999967880091 106.999967880091 213.999935760183 -125.162592860020 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 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101.1846 101.3791 101.4996 101.6622 102.0064 102.1392 102.2469 102.3043 102.7081 102.7392 102.9056 103.0550 103.4223 103.5551 103.7213 103.8408 103.9982 104.1724 104.2288 104.4636 104.5301 104.5654 104.7501 105.0614 105.2504 105.3348 105.5481 105.5814 105.7277 105.9700 106.0745 106.1909 106.2982 106.4815 106.6275 106.6588 106.7869 106.9189 107.2217 107.3570 107.4030 107.5452 107.7135 107.9147 107.9767 108.0715 108.1134 108.2964 108.5210 108.5429 108.6289 108.8331 109.0261 109.1190 109.2072 109.4039 109.5128 109.6291 109.6733 109.9085 109.9486 110.1797 110.2212 110.3544 110.5760 110.7011 110.7230 110.9216 110.9936 111.1117 111.3044 111.4071 111.6213 111.6662 111.8007 111.9926 112.0992 112.1428 112.3538 112.5114 112.5497 112.6421 112.6987 112.8622 113.1399 113.1687 113.3024 113.3472 113.3795 113.4783 113.6252 113.7674 113.9236 114.0350 114.0496 114.2713 114.2788 114.4795 114.7907 114.8977 115.0473 115.1364 115.2192 115.3551 115.5370 115.7672 115.8835 116.0395 116.1428 116.3603 116.5336 116.7503 116.9460 117.1108 117.1638 117.2655 117.3817 117.5732 117.6775 117.8182 118.0256 118.2415 118.3882 118.4391 118.6567 118.9708 119.0276 119.0897 119.2673 119.3290 119.8119 119.9246 120.1470 120.2929 120.3692 120.4443 120.5330 120.7622 120.9948 121.1146 121.4462 121.4968 121.7582 121.9347 122.0035 122.2266 122.2610 122.5898 122.7157 122.9274 123.0396 123.3141 123.3724 123.5305 124.0921 124.2540 124.4152 124.5237 124.6951 124.8263 125.2298 125.3175 125.5202 125.6497 125.8777 125.9459 126.1236 126.4241 126.5710 126.7281 126.9775 127.0130 127.2875 127.3359 127.6937 127.8885 128.0246 128.1221 128.2914 128.4460 128.5148 128.8378 128.9963 129.3734 129.3782 129.5516 129.9146 130.1407 130.3263 130.6418 130.7510 130.9007 131.0062 131.0754 131.2456 131.7386 132.0519 132.4915 132.5423 132.6532 133.0769 133.1807 133.4103 133.5643 133.9196 134.0502 134.1661 134.3715 134.5890 134.7748 135.3105 135.6464 135.7920 135.9204 136.2857 136.3237 136.4855 136.7862 136.8477 137.2225 137.3343 137.5231 137.7914 137.9900 138.2636 138.4282 138.5515 138.7801 139.0527 139.1174 139.2559 139.4078 139.6558 139.8469 140.1410 140.3364 140.5705 140.7357 140.8212 140.9779 141.1686 141.2843 141.3838 141.5430 141.7053 141.8272 141.9686 142.0179 142.1425 142.2482 142.3395 142.5585 142.8691 142.9786 143.1599 143.3092 143.4676 143.6100 143.7188 143.9182 144.4293 144.7366 145.0007 145.0144 145.2751 145.4960 145.6304 145.7279 145.9340 146.0172 146.1253 146.5150 146.6671 146.7928 146.9489 146.9951 147.1238 147.2239 147.2726 147.8616 147.9464 148.0796 148.1165 148.5667 148.8018 149.0674 149.1915 149.3087 149.5801 149.8981 150.1862 150.3802 150.4510 150.5012 150.5375 150.7657 150.8652 150.9566 151.1983 151.2960 151.4094 151.5571 151.7348 152.0082 152.0628 152.3523 152.3974 152.5108 152.6629 152.8670 153.0061 153.3779 153.4255 153.6306 153.7903 153.9476 154.0443 154.2803 154.5533 154.6375 154.7584 155.1417 155.4343 155.6164 155.7528 156.0217 156.1753 156.2309 156.4704 156.5501 156.7666 157.2361 157.3776 157.8781 158.0481 158.1390 158.6451 159.4523 160.4365 161.1177 161.2546 162.1403 163.6994 164.2146 166.3974 168.6260 169.1305 170.4034 171.9574 173.4638 173.9368 174.7348 175.7700 176.4080 177.4730 178.9079 179.3979 179.5704 180.0645 180.2518 181.2832 181.8089 182.3407 182.8982 184.7403 185.5316 185.6780 186.3713 186.7253 187.1748 187.3582 188.9566 189.9825 191.9329 193.5691 193.7953 194.2998 194.5114 195.4169 195.9519 198.1963 200.9705 204.4695 206.9497 209.3815 620.0660 621.2421 621.5292 623.0045 629.8604 631.2812 631.9886 634.0335 634.3070 634.8357 637.4195 638.3690 638.8580 639.5921 641.1644 641.3318 642.2660 643.9190 646.6403 647.5274 648.1346 938.7708 1197.7004 1199.8250 1200.4680 1202.7789 1210.5134 3029.0337 1.0000000 0 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 C C C C C C C H H H C C H H O O O O O H C H H C H C H H H C H H H C H C C H H H C H H H C H C C H H H C H H H H Ag 0.060210 -0.285437 0.178356 0.129786 0.039554 0.555971 -0.230281 0.137042 0.141639 0.123340 0.265772 -0.127732 0.117453 0.109672 -0.227238 -0.379797 -0.267533 -0.329824 -0.361655 0.199027 -0.294067 0.136445 0.127671 -0.003602 0.066257 -0.243978 0.079677 0.096437 0.090021 -0.264491 0.093324 0.094813 0.086331 -0.179682 0.180410 0.081772 -0.195357 0.129149 0.095967 0.096593 -0.234103 0.102309 0.100770 0.135486 -0.094849 0.207451 0.033927 -0.197044 0.127219 0.098061 0.095374 -0.216078 0.100658 0.081627 0.135239 0.237251 0.164685 0 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 C C C C C C C H H H C C H H O O O O O H C H H C H C H H H C H H H C H C C H H H C H H H C H C C H H H C H H H H Ag -0.273469 -0.140007 -0.226159 -0.050672 -0.238804 -0.229190 0.015124 0.050286 0.039710 0.071921 -0.113802 0.006306 0.042251 0.036536 0.447360 0.175960 0.204496 0.167469 0.359701 -0.111751 0.004981 0.055564 0.040568 -0.096287 0.026408 0.015207 0.009407 0.019829 0.020343 0.019166 0.019418 0.016789 0.018044 -0.001759 0.040717 -0.103442 0.034435 0.039047 0.027547 0.029105 0.036836 0.031030 0.024556 0.038828 -0.006217 0.042277 -0.092507 0.035128 0.037972 0.029959 0.026792 0.035466 0.031373 0.016811 0.039613 -0.153121 0.356850 0 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 C C C C C C C H H H C C H H O O O O O H C H H C H C H H H C H H H C H C C H H H C H H H C H C C H H H C H H H H Ag 5.9398 6.2854 5.8216 5.8702 5.9604 5.4440 6.2303 0.8630 0.8584 0.8767 5.7342 6.1277 0.8825 0.8903 8.2272 8.3798 8.2675 8.3298 8.3617 0.8010 6.2941 0.8636 0.8723 6.0036 0.9337 6.2440 0.9203 0.9036 0.9100 6.2645 0.9067 0.9052 0.9137 6.1797 0.8196 5.9182 6.1954 0.8709 0.9040 0.9034 6.2341 0.8977 0.8992 0.8645 6.0948 0.7925 5.9661 6.1970 0.8728 0.9019 0.9046 6.2161 0.8993 0.9184 0.8648 0.7627 18.8353 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 6.0000 6.0000 1.0000 1.0000 8.0000 8.0000 8.0000 8.0000 8.0000 1.0000 6.0000 1.0000 1.0000 6.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 6.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 6.0000 6.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 1.0000 19.0000 0.0602 -0.2854 0.1784 0.1298 0.0396 0.5560 -0.2303 0.1370 0.1416 0.1233 0.2658 -0.1277 0.1175 0.1097 -0.2272 -0.3798 -0.2675 -0.3298 -0.3617 0.1990 -0.2941 0.1364 0.1277 -0.0036 0.0663 -0.2440 0.0797 0.0964 0.0900 -0.2645 0.0933 0.0948 0.0863 -0.1797 0.1804 0.0818 -0.1954 0.1291 0.0960 0.0966 -0.2341 0.1023 0.1008 0.1355 -0.0948 0.2075 0.0339 -0.1970 0.1272 0.0981 0.0954 -0.2161 0.1007 0.0816 0.1352 0.2373 0.1647 4.0783 3.4355 4.0618 3.7481 4.0069 3.2397 4.0138 1.0117 1.0025 1.0218 3.9280 3.8275 1.0238 1.0246 2.3357 2.1245 2.1843 2.1417 2.0528 1.0398 4.0952 1.0232 1.0119 3.8399 1.0226 3.9240 1.0095 1.0068 1.0082 3.9462 1.0081 1.0051 1.0037 3.7391 1.0291 3.6912 3.9156 0.9959 1.0053 1.0094 3.9553 1.0070 1.0097 0.9946 3.5646 1.0088 3.7417 3.9176 0.9979 1.0091 1.0030 3.9508 1.0075 1.0177 0.9978 1.0937 1.5760 4.0783 3.4355 4.0618 3.7481 4.0069 3.2397 4.0138 1.0117 1.0025 1.0218 3.9280 3.8275 1.0238 1.0246 2.3357 2.1245 2.1843 2.1417 2.0528 1.0398 4.0952 1.0232 1.0119 3.8399 1.0226 3.9240 1.0095 1.0068 1.0082 3.9462 1.0081 1.0051 1.0037 3.7391 1.0291 3.6912 3.9156 0.9959 1.0053 1.0094 3.9553 1.0070 1.0097 0.9946 3.5646 1.0088 3.7417 3.9176 0.9979 1.0091 1.0030 3.9508 1.0075 1.0177 0.9978 1.0937 1.5760 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0956 0.8514 2.0087 1.0748 -0.1016 1.3362 0.9867 1.8516 0.9916 0.8384 0.9532 0.8034 2.1153 0.9062 0.9186 0.9766 1.0190 1.0057 0.9704 1.4257 0.9884 1.0032 0.8848 0.8601 0.1824 0.9953 0.1108 0.9841 1.0392 0.9304 1.0165 0.9526 0.9488 0.9820 0.9943 0.9840 0.9950 0.9962 0.9828 1.0027 1.3794 0.3481 0.9838 1.0005 0.3136 0.9655 0.9825 0.9881 0.9790 0.9968 0.9716 0.9890 1.4092 0.3299 0.9955 1.0092 0.2754 0.9679 0.9888 0.9811 0.9811 0.9936 0.9741 0 1 0 5 0 17 1 2 1 5 1 10 2 3 2 15 3 4 3 6 3 9 4 5 4 16 5 18 5 20 6 7 6 8 6 33 10 11 10 14 11 12 11 13 11 23 14 55 15 55 18 19 18 56 20 21 20 22 20 44 23 24 23 25 23 29 25 26 25 27 25 28 29 30 29 31 29 32 33 34 33 35 33 56 35 36 35 40 35 56 36 37 36 38 36 39 40 41 40 42 40 43 44 45 44 46 44 56 46 47 46 51 46 56 47 48 47 49 47 50 51 52 51 53 51 54 SINGLET 1 0.142252 101 101 102 103 104 104 105 105 105 106 a a a a a a a a a a 107 112 107 107 107 112 107 110 111 107 a a a a a a a a a a 0.063858 0.055311 0.029224 0.028023 0.033564 0.046369 0.602712 0.015187 0.014838 0.027269 2 0.154951 101 102 102 104 105 105 105 106 106 a a a a a a a a a 107 107 112 107 107 110 112 107 112 a a a a a a a a a 0.217384 0.015476 0.010537 0.300223 0.047321 0.013383 0.154280 0.075567 0.017841 3 0.169280 98 101 102 102 102 102 102 103 104 105 105 106 a a a a a a a a a a a a 109 109 108 109 110 111 112 109 109 109 110 109 a a a a a a a a a a a a 0.023759 0.012698 0.010793 0.363620 0.023344 0.010124 0.013448 0.059869 0.047156 0.271021 0.015443 0.024235 4 0.181451 104 105 106 106 106 a a a a a 107 107 107 109 112 a a a a a 0.021486 0.054582 0.720083 0.115061 0.013600 5 0.192688 103 104 105 106 106 106 106 106 106 a a a a a a a a a 108 107 109 107 108 109 110 111 112 a a a a a a a a a 0.010118 0.012079 0.033670 0.058496 0.020030 0.702148 0.056148 0.022838 0.015925 6 0.199947 102 103 103 103 103 104 106 a a a a a a a 108 107 108 109 110 108 108 a a a a a a a 0.168089 0.029372 0.515189 0.026579 0.016669 0.090371 0.012797 7 0.205938 101 102 102 102 103 104 105 a a a a a a a 107 107 110 112 107 107 107 a a a a a a a 0.036334 0.505151 0.010543 0.012555 0.174409 0.036247 0.093362 8 0.215672 101 102 103 103 104 104 104 a a a a a a a 108 107 107 108 107 108 109 a a a a a a a 0.084401 0.036230 0.037606 0.218948 0.039784 0.439215 0.013848 9 0.217224 101 102 102 102 103 103 103 103 103 104 a a a a a a a a a a 108 107 108 109 107 109 110 111 112 108 a a a a a a a a a a 0.016758 0.196194 0.030329 0.013791 0.428351 0.037765 0.031584 0.015303 0.016915 0.102147 10 0.219911 97 102 103 104 104 104 105 105 105 106 106 106 a a a a a a a a a a a a 107 109 109 107 108 109 108 109 112 107 109 112 a a a a a a a a a a a a 0.028860 0.119063 0.025210 0.097948 0.026108 0.110397 0.020152 0.382807 0.042782 0.010503 0.018296 0.035425 11 0.222488 97 102 103 103 104 104 104 104 105 105 105 105 105 106 a a a a a a a a a a a a a a 107 109 107 109 107 108 110 112 107 109 110 111 112 112 a a a a a a a a a a a a a a 0.046185 0.079877 0.014527 0.019860 0.196696 0.015222 0.012956 0.010800 0.053867 0.101947 0.040184 0.012205 0.184848 0.051808 12 0.233554 101 101 102 102 103 103 103 104 104 104 104 105 105 106 106 106 a a a a a a a a a a a a a a a a 107 110 110 111 107 110 111 107 108 109 110 108 110 107 110 112 a a a a a a a a a a a a a a a a 0.101764 0.012529 0.089522 0.011566 0.047791 0.015424 0.050701 0.023185 0.015970 0.030334 0.231353 0.043723 0.030790 0.011058 0.031119 0.093957 13 0.235062 101 101 102 102 102 103 103 103 104 104 104 106 106 106 a a a a a a a a a a a a a a 107 112 107 110 112 108 109 110 107 110 111 107 111 112 a a a a a a a a a a a a a a 0.093085 0.021608 0.025097 0.079810 0.010919 0.010044 0.012604 0.155595 0.079257 0.162536 0.021984 0.023562 0.014399 0.169282 14 0.239074 97 101 101 103 103 104 104 105 105 105 105 106 a a a a a a a a a a a a 108 107 108 108 111 110 111 108 109 110 112 108 a a a a a a a a a a a a 0.010164 0.014954 0.157215 0.016759 0.012579 0.017730 0.010439 0.580476 0.013866 0.021070 0.012368 0.014823 15 0.242188 89 97 98 101 101 102 103 103 103 104 105 105 106 106 106 106 106 a a a a a a a a a a a a a a a a a 108 107 107 107 109 107 110 111 113 110 110 112 107 108 110 111 112 a a a a a a a a a a a a a a a a a 0.010641 0.010402 0.012134 0.064185 0.027857 0.015007 0.150181 0.020382 0.010758 0.037436 0.019451 0.138793 0.019697 0.026437 0.041517 0.013049 0.211987 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 31220.8 34007.8 37152.6 39824.0 42290.2 43883.2 45198.2 47334.6 47675.2 48264.8 48830.6 51259.2 51590.2 52470.6 53154.2 320.3 294.1 269.2 251.1 236.5 227.9 221.2 211.3 209.8 207.2 204.8 195.1 193.8 190.6 188.1 0.001917422 0.001692660 0.001414844 0.287150327 0.175163303 0.032327338 0.005473058 0.031719849 0.110676221 0.005211580 0.020195852 0.097600736 0.165810945 0.024704369 0.059531716 0.02022 0.01639 0.01254 2.37378 1.36358 0.24252 0.03986 0.22061 0.76425 0.03555 0.13616 0.62684 1.05809 0.15500 0.36871 -0.11818 -0.08041 -0.00953 1.42084 -0.94704 0.47195 -0.13989 -0.35130 0.82322 -0.02875 0.27248 0.06726 -0.92189 -0.19487 0.09807 -0.02143 0.09811 0.09351 -0.45071 -0.67742 -0.09986 -0.11927 0.30966 0.20333 0.17943 -0.23348 0.66762 0.36483 0.21252 0.59620 -0.07611 0.01716 0.06084 0.38968 -0.08822 -0.09907 -0.07792 0.03618 -0.21265 0.05025 0.08603 0.42024 0.27406 0.26807 -0.06030 -0.034931336 -1341.269859965377 -174.17700 176.80232 2.62532 8.09502 -8.34059 -0.24558 1.07793 -1.91805 -0.84011 2.76738 7.03412