Orca 5.0.4 RELEASE 1 2 3 4 5 8s4p1d 8s4p1d 14s10p6d 8s4p1d 4s 4s2p1d 4s2p1d 5s4p3d 4s2p1d 2s 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 N C C Se N C C C C O H H H H H H H H H H H H H H H H 1 2 2 3 1 2 2 2 2 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 195.03699999999995 AuxInfo=1/0/N:3,7,9,2,6,8,1,5,10,4/E:(2,3)(5,6)/CRV:9.1,10.3/rA:26nNCCSe3NCCCCO1HHHHHHHHHHHHHHHH/rB:s1;s2;s1;s4;s5;s6;s5;s8;s4;s1;s2;s2;s3;s3;s3;s6;s6;s7;s7;s7;s8;s8;s9;s9;s9;/rC:1.6029,-.2751,-.5479;2.9715,-.7627,-.4469;3.95,.1608,.2672;.6033,-.3279,.9822;-.9199,.1614,.0544;-1.8569,1.0411,.7388;-2.3505,2.1454,-.1845;-1.5026,-.8858,-.7698;-2.2064,-2.0161,-.0245;.8989,.9727,1.8903;1.5365,.6377,-.9914;3.3203,-.9601,-1.4636;2.9489,-1.7387,.0466;4.9557,-.2608,.2546;3.9944,1.136,-.22;3.6647,.3297,1.3051;-2.7111,.4831,1.1413;-1.3579,1.5029,1.591;-2.8642,1.7545,-1.0637;-3.055,2.7904,.3424;-1.5171,2.7587,-.5242;-2.2109,-.4033,-1.4491;-.7199,-1.296,-1.411;-3.0135,-1.6503,.6105;-1.5159,-2.5784,.6056;-2.6455,-2.719,-.7336; Method DFT(GTOs) Exchange PBE PBE kappa parameter XKappa 1.024500 XMuePBE 0.123457 Correlation PBE PBE beta parameter CBetaPBE 0.030000 LDAOpt PW91-LDA PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.420000 ScalDFX 0.580000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF RI-approximation to the Coulomb term is turned on functions 675 RIJ-ON(X) (HFX calculated with O(N)) on functions 675 RIJ-COSX (HFX calculated with COS-X)) on IntName C6H16N2OSe_opt_orca HFTyp RHF Charge 0 Mult 1 NEL 108 Dim 199 ENuc 963.5217645994 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) 1.000e-05 Converg. threshold II (energy diff.) 1.000e-08 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 COSX micro iterations for RIJONX calc off 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 250 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 2.500e-11 Eh TCut 2.500e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-08 Eh 1-El. energy change 1.000e-05 Eh TolG 1.000e-05 TolX 1.000e-05 TolErr 5.000e-07 Smallest eigenvalue 6.257e-03 Time for diagonalization 0.004 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.003 sec Total time needed 0.007 sec Method DFT(GTOs) Exchange PBE PBE kappa parameter XKappa 1.024500 XMuePBE 0.123457 Correlation PBE PBE beta parameter CBetaPBE 0.030000 LDAOpt PW91-LDA PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.420000 ScalDFX 0.580000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF RI-approximation to the Coulomb term is turned on functions 675 RIJ-ON(X) (HFX calculated with O(N)) on functions 675 RIJ-COSX (HFX calculated with COS-X)) on IntName C6H16N2OSe_opt_orca HFTyp RHF Charge 0 Mult 1 NEL 108 Dim 199 ENuc 963.5380951562 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) 1.000e-05 Converg. threshold II (energy diff.) 1.000e-08 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 COSX micro iterations for RIJONX calc off 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 250 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 2.500e-11 Eh TCut 2.500e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-08 Eh 1-El. energy change 1.000e-05 Eh TolG 1.000e-05 TolX 1.000e-05 TolErr 5.000e-07 Smallest eigenvalue 6.257e-03 Time for diagonalization 0.004 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.003 sec Total time needed 0.008 sec 7 6 6 34 7 6 6 6 6 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 195.03699999999995 AuxInfo=1/0/N:3,7,9,2,6,8,1,5,10,4/E:(2,3)(5,6)/CRV:9.1,10.3/rA:26nNCCSe3NCCCCO1HHHHHHHHHHHHHHHH/rB:s1;s2;s1;s4;s5;s6;s5;s8;s4;s1;s2;s2;s3;s3;s3;s6;s6;s7;s7;s7;s8;s8;s9;s9;s9;/rC:1.6029,-.2751,-.5479;2.9715,-.7627,-.4469;3.95,.1608,.2672;.6033,-.3279,.9822;-.9199,.1614,.0544;-1.8569,1.0411,.7388;-2.3505,2.1454,-.1845;-1.5026,-.8858,-.7698;-2.2064,-2.0161,-.0245;.8989,.9727,1.8903;1.5365,.6377,-.9914;3.3203,-.9601,-1.4636;2.9489,-1.7387,.0466;4.9557,-.2608,.2546;3.9944,1.136,-.22;3.6647,.3297,1.3051;-2.7111,.4831,1.1413;-1.3579,1.5029,1.591;-2.8642,1.7545,-1.0637;-3.055,2.7904,.3424;-1.5171,2.7587,-.5242;-2.2109,-.4033,-1.4491;-.7199,-1.296,-1.411;-3.0135,-1.6503,.6105;-1.5159,-2.5784,.6056;-2.6455,-2.719,-.7336; 0 1 Opt RIJCOSX PBEh-3c output xyzfile=True scf maxiter 250 output Print[P_Hirshfeld] = 1 maxcore 4800 %pal nprocs 8 -2822.467151939140 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 N C C Se N C C C C O H H H H H H H H H H H H H H H H -0.434351 -0.179523 -0.384565 0.828797 -0.310828 -0.169880 -0.366280 -0.173350 -0.383645 -0.578221 0.242327 0.124499 0.122239 0.128282 0.127105 0.138997 0.102301 0.144946 0.119712 0.128006 0.132047 0.125412 0.131766 0.126406 0.125589 0.132214 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 N C C Se N C C C C O H H H H H H H H H H H H H H H H 7.7270 6.2965 6.6477 32.9074 7.5733 6.2925 6.6279 6.3037 6.6532 8.6907 0.6459 0.7689 0.7790 0.7869 0.7862 0.7559 0.8053 0.7334 0.7939 0.7858 0.7736 0.7728 0.7532 0.7800 0.7815 0.7776 7.0000 6.0000 6.0000 34.0000 7.0000 6.0000 6.0000 6.0000 6.0000 8.0000 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 -0.7270 -0.2965 -0.6477 1.0926 -0.5733 -0.2925 -0.6279 -0.3037 -0.6532 -0.6907 0.3541 0.2311 0.2210 0.2131 0.2138 0.2441 0.1947 0.2666 0.2061 0.2142 0.2264 0.2272 0.2468 0.2200 0.2185 0.2224 2.8151 3.7696 3.7063 3.5468 2.8700 3.6919 3.7255 3.7312 3.7097 1.8660 0.8481 0.8989 0.9062 0.9127 0.9152 0.9107 0.9076 0.9112 0.9172 0.9137 0.9125 0.9042 0.9070 0.9137 0.9138 0.9113 2.8151 3.7696 3.7063 3.5468 2.8700 3.6919 3.7255 3.7312 3.7097 1.8660 0.8481 0.8989 0.9062 0.9127 0.9152 0.9107 0.9076 0.9112 0.9172 0.9137 0.9125 0.9042 0.9070 0.9137 0.9138 0.9113 -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 0.9828 0.9211 0.8114 0.9753 0.9136 0.9132 0.9196 0.9282 0.9133 0.8917 1.6411 0.9352 0.9703 0.9782 0.9045 0.8847 0.9288 0.9236 0.9257 0.9667 0.9055 0.9040 0.9223 0.9251 0.9212 0 1 0 3 0 10 1 2 1 11 1 12 2 13 2 14 2 15 3 4 3 9 4 5 4 7 5 6 5 16 5 17 6 18 6 19 6 20 7 8 7 21 7 22 8 23 8 24 8 25 0.0000000 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 N C C Se N C C C C O H H H H H H H H H H H H H H H H -0.726981 -0.296534 -0.647732 1.092593 -0.573347 -0.292506 -0.627895 -0.303747 -0.653151 -0.690740 0.354148 0.231060 0.220984 0.213127 0.213763 0.244148 0.194661 0.266559 0.206120 0.214241 0.226357 0.227225 0.246807 0.219982 0.218467 0.222388 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 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 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 -12397.5912 -1600.6490 -1435.8260 -1435.8140 -1435.7693 -529.1917 -398.5854 -398.5209 -285.0612 -284.9158 -284.6881 -283.8317 -283.6965 -283.6045 -223.4514 -165.9718 -165.9599 -165.7885 -64.1148 -64.0937 -63.9579 -63.9121 -63.8694 -29.6102 -27.4389 -27.0219 -23.2406 -22.7480 -21.9479 -19.9597 -19.5043 -18.6860 -17.2431 -15.6576 -14.7784 -14.5477 -14.1438 -13.3374 -13.1969 -13.0133 -12.9215 -12.4694 -11.9661 -11.6554 -11.5505 -11.4413 -11.1497 -10.9199 -10.8366 -10.4164 -9.1672 -8.4764 -7.9340 -7.1673 0.9066 1.8574 3.0474 3.6216 4.0300 4.5812 4.8270 5.0170 5.0974 5.3658 5.6108 5.7541 5.8331 5.9233 6.0338 6.1341 6.4360 6.4695 6.6515 6.9718 7.0184 7.4102 7.8501 8.0877 8.4242 10.0652 11.7574 12.3837 12.8340 13.4450 13.7523 14.1453 14.3060 14.6210 14.7106 15.1070 15.4232 15.5560 16.0389 16.3330 17.3471 17.4434 17.6537 18.0028 18.4941 18.7403 20.3130 21.1194 21.3568 22.3632 23.3129 24.0883 24.6168 26.2898 26.6950 27.0418 27.2518 27.5893 27.6952 27.7823 28.0014 28.1823 28.5012 28.7117 28.9806 29.0482 29.1583 29.1827 29.6952 30.0693 30.4253 30.6231 30.8717 31.1761 31.9274 32.8689 33.4747 34.4552 34.7376 36.0251 38.0556 39.9397 40.2505 40.7757 41.8217 43.4925 44.3601 44.8199 45.4506 47.0099 48.4371 49.3310 49.8472 51.8852 52.0999 52.1717 52.9800 53.6523 54.1395 54.2719 54.7046 55.2580 55.3617 56.2553 57.2413 57.4846 57.8192 59.1004 59.2972 60.1835 60.6047 61.4454 61.9312 62.6380 63.8454 64.9579 65.5225 65.6722 65.8823 66.1517 67.0866 68.0333 68.3019 69.2517 70.8236 71.9873 72.9899 74.5806 74.9582 75.5296 77.5143 90.1967 90.5701 93.2837 94.8917 97.3148 370.9382 371.3688 372.8528 379.4698 379.7516 382.1547 522.1749 524.5043 696.6104 195.03699999999995 AuxInfo=1/0/N:3,7,9,2,6,8,1,5,10,4/E:(2,3)(5,6)/CRV:9.1,10.3/rA:26nNCCSe3NCCCCO1HHHHHHHHHHHHHHHH/rB:s1;s2;s1;s4;s5;s6;s5;s8;s4;s1;s2;s2;s3;s3;s3;s6;s6;s7;s7;s7;s8;s8;s9;s9;s9;/rC:1.603,-.2759,-.5485;2.9724,-.7614,-.4475;3.949,.1634,.2678;.603,-.3317,.9813;-.9198,.1596,.054;-1.8554,1.0408,.7384;-2.3476,2.1455,-.1851;-1.5043,-.8871,-.7697;-2.2088,-2.0164,-.0238;.8989,.9673,1.8918;1.5356,.6374,-.9909;3.322,-.9573,-1.4642;2.9513,-1.7379,.0451;4.9553,-.2567,.2561;3.9925,1.1387,-.2191;3.6625,.3315,1.3055;-2.7103,.4842,1.1414;-1.3553,1.502,1.5903;-2.8623,1.755,-1.064;-3.0509,2.7919,.3417;-1.5134,2.7572,-.5255;-2.2125,-.4041,-1.4487;-.7224,-1.2981,-1.4114;-3.015,-1.6497,.6117;-1.5185,-2.5795,.606;-2.6491,-2.7189,-.7324; -2822.50420402 963.52176460 -3786.02596862 -5832.26193709 2046.23596847 -5639.99873643 2817.49453240 2.00177806 54.000058702223 54.000058702223 108.000117404446 -80.875772790305 -5.350192986987 -86.225965777292 -0.014675551 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 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 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 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28.1806 28.5012 28.7112 28.9804 29.0480 29.1596 29.1835 29.6949 30.0695 30.4241 30.6224 30.8739 31.1777 31.9262 32.8689 33.4806 34.4519 34.7436 36.0207 38.0521 39.9416 40.2517 40.7747 41.8280 43.4903 44.3603 44.8220 45.4520 47.0112 48.4389 49.3331 49.8457 51.8847 52.0998 52.1730 52.9793 53.6520 54.1402 54.2714 54.7043 55.2565 55.3611 56.2541 57.2412 57.4866 57.8187 59.1016 59.2969 60.1827 60.6031 61.4456 61.9317 62.6367 63.8458 64.9577 65.5233 65.6724 65.8829 66.1546 67.0857 68.0343 68.3025 69.2478 70.8241 71.9889 72.9888 74.5810 74.9583 75.5312 77.5123 90.2010 90.5651 93.2803 94.8925 97.3132 370.9377 371.3704 372.8522 379.4707 379.7517 382.1560 522.1786 524.5037 696.6088 -0.0000000 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 N C C Se N C C C C O H H H H H H H H H H H H H H H H -0.726893 -0.296604 -0.647818 1.092680 -0.573385 -0.292546 -0.627877 -0.303740 -0.653157 -0.690765 0.354112 0.231062 0.220965 0.213106 0.213715 0.244275 0.194649 0.266641 0.206109 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