Orca 5.0.4 RELEASE 1 2 3 4 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 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 O O O N N C C C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H 1 1 1 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 364.26839999999976 AuxInfo=1/0/N:20,21,16,29,26,27,28,22,23,24,25,18,19,14,7,8,11,9,10,17,13,15,12,6,4,5,3,2,1/E:(6,7)(8,9)(10,11)(12,13)(15,16)(18,19)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,20.3,21.3,22.3,23.3,28.1/rA:60nOO1ONNCCCCCCC3C3CC3CC3C3C3CCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s6;s6;s4s7;s4s8;s4;s1s2s6;s5;s11;s3s5;s15;s14;s13;s13;s16;s1;s18;s19;s17;s17;s22s23;s24;s25;s27s28;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s14;s14;s16;s16;s18;s19;s20;s20;s20;s21;s21;s21;s22;s23;s24;s25;s26;s27;s28;s29;s3;/rC:1.0213,-.5281,-3.0518;.6681,-2.3939,-1.9067;1.5358,-2.7877,.4208;-2.0045,1.0556,-.8712;1.8275,-.5295,.1491;.5817,-.3041,-.6978;-.6643,-.7406,.0917;.4275,1.18,-1.0473;-1.9438,-.3713,-.6422;-.9122,1.4768,-1.7183;-3.3189,1.526,-1.2989;.7527,-1.1797,-1.9566;2.7094,.5964,.3913;-4.1578,2.0686,-.1367;2.1362,-1.6872,.7067;3.2341,-1.8471,1.7069;-4.3736,1.0608,.9604;3.7587,.8206,-.4824;2.4847,1.4314,1.4746;4.4892,-2.4326,1.0488;1.1887,-1.3083,-4.2551;4.6029,1.8997,-.2647;3.334,2.504,1.6873;-5.3538,.0792,.8423;-3.5553,1.049,2.0854;4.3913,2.7382,.8183;-5.4994,-.9013,1.8116;-3.698,.0709,3.059;-4.6667,-.912,2.9215;-.6711,-1.8074,.3001;-.6489,-.2131,1.0472;.457,1.7508,-.1213;1.2456,1.5214,-1.6781;-2.0152,-.9389,-1.5897;-2.7871,-.6812,-.0287;-.9714,2.5548,-1.8674;-.9557,1.0132,-2.7174;-3.1839,2.3269,-2.0281;-3.8671,.7276,-1.8166;-5.1193,2.4001,-.5352;-3.655,2.9486,.2678;2.8508,-2.5471,2.4503;3.459,-.9068,2.199;3.9114,.1614,-1.3281;1.6566,1.2394,2.1458;4.9195,-1.7368,.3291;5.2373,-2.6279,1.814;4.2661,-3.3713,.5442;.271,-1.8505,-4.4697;2.0108,-2.0088,-4.1294;1.4055,-.5869,-5.0345;5.4262,2.0819,-.9421;3.1694,3.1583,2.5327;-6.0121,.0822,-.0196;-2.7985,1.8169,2.1958;5.052,3.578,.9877;-6.27,-1.6541,1.7049;-3.0595,.0825,3.9339;-4.7843,-1.6725,3.6826;1.0206,-2.7569,-.4436; 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 1762 RIJ-COSX (HFX calculated with COS-X)) on IntName Carfentanil_Oprot_106 HFTyp RHF Charge 1 Mult 1 NEL 212 Dim 1333 ENuc 2936.3232368874 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 20 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 on SOSCFMaxIt 150 SOSCFStart 0.003300 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 TolG 5.000e-05 TolX 5.000e-05 TolErr 1.000e-06 Smallest eigenvalue 5.984e-06 Time for diagonalization 0.346 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.221 sec Total time needed 0.579 sec 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 364.26839999999976 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1 1 wB97X-D3 def2-TZVPP defgrid3 ESD(ABS) maxcore 6900 pal nprocs 8 tddft nroots=15 tda false esd GSHESSIAN "Carfentanil_Oprot_106.hess" hessflag VG STATES 1,2,3,4,5,6,7,8,9,10,11,12,13,14,15 unit nm LINES gaussian USEJ FALSE 364.26839999999976 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109.6303 109.8994 109.9706 110.0568 110.1710 110.2679 110.4081 110.5386 110.7258 110.8662 111.0277 111.1004 111.1822 111.2940 111.5231 111.6858 111.8117 111.8748 112.0028 112.2332 112.3433 112.5101 112.6234 112.6904 112.7355 113.0303 113.1078 113.1961 113.3359 113.3425 113.4495 113.6853 113.8570 113.9251 114.0911 114.2749 114.4384 114.6064 114.6785 114.8532 114.9615 115.0598 115.1305 115.3274 115.4260 115.4949 115.5874 115.6846 115.7464 115.9252 116.0155 116.1325 116.2800 116.3568 116.5654 116.6257 116.6839 116.7487 116.8564 116.9752 117.1161 117.1540 117.2923 117.4080 117.5494 117.6328 117.7146 117.7959 117.9582 118.1924 118.2663 118.4580 118.6630 118.6787 118.8434 118.9106 119.1516 119.2992 119.4247 119.7179 119.7931 119.9629 120.3844 120.5863 120.8099 120.9571 121.0994 121.5053 121.8121 121.9907 122.1146 122.2644 122.4534 122.5436 122.7934 123.0504 123.1485 123.4101 123.6699 123.7249 123.9040 124.1263 124.2761 124.4481 124.7169 124.8544 125.0139 125.1226 125.2586 125.3959 125.5149 125.7698 126.0274 126.2387 126.4435 126.6372 126.7615 127.1624 127.2417 127.3098 127.4057 127.5622 127.7604 127.9178 128.2075 128.3131 128.3349 128.4936 128.5258 128.7546 128.9370 129.0755 129.1535 129.2772 129.5207 129.5657 129.7788 130.0938 130.2474 130.4228 130.6928 130.9156 130.9224 130.9671 131.1634 131.4660 131.6214 131.6799 131.7448 131.9484 132.3451 132.5148 132.7389 132.8477 132.9471 133.1709 133.4574 133.6511 133.7140 134.0711 134.1319 134.3970 134.4715 134.6839 134.8798 134.9761 135.2968 135.3850 135.5325 135.8933 136.0507 136.1401 136.3406 136.5042 136.6823 136.9818 137.1134 137.2322 137.4057 137.4918 137.6609 137.9845 138.4397 138.6306 138.8225 139.0865 139.3351 139.7466 139.8625 140.1139 140.2332 140.5805 141.1352 141.2741 141.4909 141.7215 141.8056 142.0502 142.3966 142.4284 142.6036 142.7553 142.7803 142.9231 143.2393 143.3552 143.3959 143.6716 144.2067 144.4350 144.6739 144.9939 145.0591 145.4004 145.4706 145.9332 146.0909 146.1440 146.3437 146.4050 146.4288 146.7749 146.8621 147.0368 147.1661 147.2334 147.5482 147.8910 148.0256 148.1712 148.2577 148.5156 148.6025 148.7210 149.0752 149.2585 149.3966 149.5314 149.7610 149.8982 150.1232 150.2902 150.4419 150.6196 150.7113 150.8675 150.9979 151.2022 151.3397 151.4655 151.5312 151.8205 152.0987 152.3452 152.6843 153.0430 153.3702 153.5644 153.6034 153.6603 153.9203 154.1126 154.4347 154.6389 155.0321 155.1675 155.4723 155.7992 155.8069 156.1822 156.5252 156.5708 157.0717 157.1900 157.2724 157.4647 157.5939 157.6428 158.0049 158.5080 158.5670 159.4471 159.8022 160.5093 160.9739 160.9998 161.4606 162.4476 163.5930 164.6323 165.2616 165.5932 165.8781 166.1066 166.3208 166.7274 167.3023 167.6823 168.0430 168.5391 168.9266 169.9965 170.6486 170.7639 171.6025 173.1803 175.5522 179.8207 180.6012 182.0718 182.9439 183.0152 183.2505 184.0133 184.8171 186.1640 187.6104 188.0413 188.9546 189.2741 193.7627 195.1194 197.8157 200.5094 202.9246 205.0713 210.7580 621.9662 623.2027 623.5863 628.1999 630.9968 631.3449 632.3813 633.0859 634.1180 634.4303 635.3588 635.9294 637.3648 637.8826 638.4974 640.9049 641.0571 641.7073 642.5129 643.2622 644.3593 645.0649 655.1340 657.4912 899.5841 906.3963 1198.1312 1203.4779 1206.8419 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 57 58 59 O O O N N C C C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H -0.227348 -0.353143 -0.249327 -0.132849 0.053267 0.262458 -0.212979 -0.121326 -0.152805 -0.205931 -0.140482 0.249415 0.046830 -0.082491 0.358844 -0.087379 0.114967 -0.290690 -0.288527 -0.260096 -0.130373 -0.047093 -0.040567 -0.196384 -0.220768 -0.110878 -0.108900 -0.122136 -0.131267 0.116382 0.101316 0.110998 0.121500 0.110324 0.126642 0.097274 0.112474 0.086550 0.093224 0.098441 0.077544 0.120975 0.116111 0.140147 0.152995 0.094658 0.112952 0.112150 0.133954 0.127134 0.136937 0.151203 0.152904 0.116427 0.101572 0.153100 0.136778 0.128907 0.136058 0.250329 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 O O O N N C C C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H 0.346117 0.201229 0.452040 0.193840 0.342675 -0.133043 -0.000355 0.001679 -0.070777 -0.075538 -0.060687 -0.411119 -0.135968 -0.011915 -0.202105 0.001493 -0.084071 -0.002552 -0.002793 0.038036 0.012501 0.013346 0.013568 -0.009342 -0.015369 0.020091 -0.010996 -0.021804 -0.016597 0.025611 0.036443 0.037606 0.031669 0.014884 0.036847 0.029817 0.010574 0.022315 0.017884 0.032733 0.029317 0.049098 0.034788 0.028779 0.031674 0.015132 0.027000 0.021682 0.018581 0.015627 0.018272 0.032722 0.033352 0.024588 0.018483 0.033711 0.024184 0.019782 0.022070 -0.166810 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 O O O N N C C C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H 8.2273 8.3531 8.2493 7.1328 6.9467 5.7375 6.2130 6.1213 6.1528 6.2059 6.1405 5.7506 5.9532 6.0825 5.6412 6.0874 5.8850 6.2907 6.2885 6.2601 6.1304 6.0471 6.0406 6.1964 6.2208 6.1109 6.1089 6.1221 6.1313 0.8836 0.8987 0.8890 0.8785 0.8897 0.8734 0.9027 0.8875 0.9135 0.9068 0.9016 0.9225 0.8790 0.8839 0.8599 0.8470 0.9053 0.8870 0.8878 0.8660 0.8729 0.8631 0.8488 0.8471 0.8836 0.8984 0.8469 0.8632 0.8711 0.8639 0.7497 8.0000 8.0000 8.0000 7.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.2273 -0.3531 -0.2493 -0.1328 0.0533 0.2625 -0.2130 -0.1213 -0.1528 -0.2059 -0.1405 0.2494 0.0468 -0.0825 0.3588 -0.0874 0.1150 -0.2907 -0.2885 -0.2601 -0.1304 -0.0471 -0.0406 -0.1964 -0.2208 -0.1109 -0.1089 -0.1221 -0.1313 0.1164 0.1013 0.1110 0.1215 0.1103 0.1266 0.0973 0.1125 0.0865 0.0932 0.0984 0.0775 0.1210 0.1161 0.1401 0.1530 0.0947 0.1130 0.1122 0.1340 0.1271 0.1369 0.1512 0.1529 0.1164 0.1016 0.1531 0.1368 0.1289 0.1361 0.2503 2.2003 2.1406 2.3105 2.7967 3.0796 3.7570 4.0354 3.8135 3.8819 4.0136 3.9330 4.1808 3.4344 3.8396 3.9728 3.8763 3.5428 4.0657 4.0474 3.9221 3.8402 3.9306 3.9170 3.9693 3.9799 3.9901 3.9536 3.9197 3.9610 1.0264 1.0259 1.0294 1.0211 1.0186 1.0110 1.0046 1.0041 1.0098 1.0029 1.0142 1.0197 1.0108 1.0063 1.0151 1.0106 1.0041 1.0043 1.0051 0.9934 0.9948 0.9922 0.9965 0.9959 1.0131 1.0222 0.9957 0.9985 0.9992 0.9984 1.0976 2.2003 2.1406 2.3105 2.7967 3.0796 3.7570 4.0354 3.8135 3.8819 4.0136 3.9330 4.1808 3.4344 3.8396 3.9728 3.8763 3.5428 4.0657 4.0474 3.9221 3.8402 3.9306 3.9170 3.9693 3.9799 3.9901 3.9536 3.9197 3.9610 1.0264 1.0259 1.0294 1.0211 1.0186 1.0110 1.0046 1.0041 1.0098 1.0029 1.0142 1.0197 1.0108 1.0063 1.0151 1.0106 1.0041 1.0043 1.0051 0.9934 0.9948 0.9922 0.9965 0.9959 1.0131 1.0222 0.9957 0.9985 0.9992 0.9984 1.0976 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 -0.0000 -0.0000 -0.0000 1.2699 0.8506 1.8138 0.2115 1.3857 0.8216 0.8874 0.9851 0.9076 0.8138 0.7185 1.4548 0.9910 0.9282 0.9113 0.9249 0.9939 0.9893 0.9231 0.9775 0.9957 0.9837 0.9998 0.9815 1.0209 0.9295 1.0023 0.9916 1.3499 1.3447 0.8862 1.0232 1.0163 0.9659 0.8961 0.9766 0.9976 1.3519 1.3324 1.4452 1.0001 1.4625 0.9957 0.9779 0.9855 0.9895 0.9740 0.9736 0.9807 1.4392 0.9627 1.4195 0.9616 1.4578 0.9925 1.4353 1.0051 0.9655 1.4280 0.9737 1.4289 0.9813 0.9736 0 11 0 20 1 11 1 59 2 14 2 59 3 8 3 9 3 10 4 5 4 12 4 14 5 6 5 7 5 11 6 8 6 29 6 30 7 9 7 31 7 32 8 33 8 34 9 35 9 36 10 13 10 37 10 38 12 17 12 18 13 16 13 39 13 40 14 15 15 19 15 41 15 42 16 23 16 24 17 21 17 43 18 22 18 44 19 45 19 46 19 47 20 48 20 49 20 50 21 25 21 51 22 25 22 52 23 26 23 53 24 27 24 54 25 55 26 28 26 56 27 28 27 57 28 58 SINGLET 1 0.195610 103 103 104 104 104 105 105 105 a a a a a a a a 107 109 106 107 109 106 107 109 a a a a a a a a 0.108819 0.046108 0.021160 0.263988 0.108607 0.025403 0.284603 0.110991 2 0.201206 103 103 103 104 104 105 105 a a a a a a a 111 112 113 111 112 111 112 a a a a a a a 0.130622 0.144336 0.017380 0.255348 0.023240 0.071823 0.324330 3 0.201853 101 101 101 101 102 102 102 102 a a a a a a a a 106 107 108 109 106 107 108 109 a a a a a a a a 0.130368 0.143055 0.165911 0.066980 0.031228 0.173873 0.164510 0.105938 4 0.210743 103 104 104 105 105 a a a a a 106 106 107 106 107 a a a a a 0.119996 0.326939 0.016568 0.473713 0.019245 5 0.221933 94 94 97 97 97 98 98 98 101 102 102 a a a a a a a a a a a 107 109 106 107 109 106 107 109 107 106 109 a a a a a a a a a a a 0.078175 0.069204 0.015122 0.190802 0.131725 0.013635 0.188998 0.117979 0.013346 0.034557 0.010239 6 0.223394 97 97 98 98 101 101 101 102 102 102 102 a a a a a a a a a a a 107 109 107 109 107 108 109 106 107 108 109 a a a a a a a a a a a 0.013323 0.012035 0.015943 0.011320 0.072791 0.111868 0.030618 0.428126 0.166332 0.049080 0.036652 7 0.224650 103 103 104 104 105 105 105 a a a a a a a 111 112 111 112 111 112 113 a a a a a a a 0.138274 0.111931 0.011010 0.193000 0.416839 0.067550 0.018551 8 0.230660 101 101 101 102 102 102 a a a a a a 106 107 109 106 108 109 a a a a a a 0.348379 0.138466 0.092052 0.168440 0.159125 0.010442 9 0.236580 98 103 104 105 a a a a 106 106 106 106 a a a a 0.010141 0.039835 0.458411 0.459698 10 0.243065 101 101 102 102 102 103 104 104 105 105 105 a a a a a a a a a a a 106 107 106 107 109 109 108 109 107 108 109 a a a a a a a a a a a 0.173557 0.010877 0.101209 0.033394 0.017244 0.058281 0.016659 0.163367 0.184424 0.023579 0.127539 11 0.244079 98 101 101 101 102 102 102 103 104 104 105 105 105 a a a a a a a a a a a a a 106 106 107 108 106 107 109 109 108 109 107 108 109 a a a a a a a a a a a a a 0.022984 0.279724 0.035748 0.022252 0.150168 0.065699 0.033387 0.030888 0.011942 0.086670 0.113573 0.019029 0.059091 12 0.245738 98 103 104 104 105 105 105 a a a a a a a 107 107 107 108 107 108 109 a a a a a a a 0.012712 0.047411 0.399185 0.011127 0.284705 0.012675 0.157780 13 0.246681 98 103 104 105 a a a a 106 106 106 106 a a a a 0.012517 0.764536 0.158879 0.013793 14 0.249087 103 103 103 103 104 104 104 104 104 105 105 105 105 105 a a a a a a a a a a a a a a 108 109 111 113 107 108 109 112 113 108 109 111 112 113 a a a a a a a a a a a a a a 0.074724 0.011302 0.016994 0.010809 0.028274 0.210003 0.016598 0.073396 0.014226 0.310634 0.039622 0.054059 0.022205 0.016541 15 0.253690 96 97 98 101 102 103 103 103 103 104 104 104 105 105 105 a a a a a a a a a a a a a a a 106 106 106 108 106 106 108 111 112 107 108 112 108 111 112 a a a a a a a a a a a a a a a 0.021446 0.084452 0.333498 0.015927 0.014055 0.023609 0.010455 0.034229 0.029679 0.010221 0.021466 0.087970 0.036671 0.078912 0.054847 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 42931.5 44159.7 44301.7 46252.7 48708.6 49029.4 49305.0 50624.1 51923.3 53346.6 53569.2 53933.3 54140.3 54668.3 55678.6 232.9 226.5 225.7 216.2 205.3 204.0 202.8 197.5 192.6 187.5 186.7 185.4 184.7 182.9 179.6 0.000477841 0.001138857 0.001571836 0.002431105 0.009395934 0.009858541 0.024474635 0.008712836 0.004434113 0.072608151 0.102403845 0.011724530 0.016760590 0.039773823 0.118230119 0.00366 0.00849 0.01168 0.01730 0.06351 0.06620 0.16342 0.05666 0.02811 0.44808 0.62933 0.07157 0.10192 0.23952 0.69906 0.01190 -0.05958 -0.07568 0.09859 -0.21693 -0.03055 -0.18744 0.02617 -0.09288 0.39634 -0.39008 0.25839 -0.31488 -0.20714 -0.64254 -0.04253 -0.05419 0.00605 -0.06458 -0.01471 -0.19942 -0.22002 -0.12996 0.13781 0.53904 -0.68779 0.03977 -0.04531 -0.15958 0.10891 -0.04140 -0.04476 0.07691 0.05842 -0.12740 -0.15967 0.28262 -0.19770 0.02230 0.02077 -0.06411 -0.05677 0.02676 0.41370 0.52377 -0.035966243 -1268.147340696707 -0.36641 3.44217 3.07577 1.87337 -2.04375 -0.17038 -2.52386 1.57785 -0.94601 3.22247 8.19086