%chk=000258126.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258126

0 1
S -0.976799 -1.002100 1.453866
S 3.388612 1.432625 -0.512437
N -3.190252 2.652617 -0.085785
N 0.991586 2.532347 -0.554730
N 1.117467 0.317018 0.429559
C -2.407081 3.922171 0.059081
C -2.496700 1.490402 0.567011
C -1.105478 3.774935 -0.742413
C -1.019716 1.468046 0.304869
C -0.351511 2.553774 -0.314889
C -4.571661 2.824510 0.478329
C -0.221722 0.365510 0.660002
C -5.425690 1.612832 0.186796
C 1.666540 1.411353 -0.174679
C -6.180635 1.026214 1.212417
C -5.493031 1.090075 -1.113886
C 0.314362 -2.267791 1.646902
C -6.999961 -0.072616 0.935441
C -6.309729 -0.009948 -1.383650
C -7.066435 -0.592110 -0.360549
C 0.172069 -3.247995 0.530934
C 3.974047 -0.154418 0.168921
C 5.441043 -0.140805 -0.104259
C 0.754632 -2.981603 -0.719186
C -0.541441 -4.441475 0.724258
C 6.328464 0.414849 0.831880
C 5.942119 -0.684024 -1.298537
C 0.622969 -3.901069 -1.761726
C -0.668061 -5.357815 -0.323545
C -0.086535 -5.091105 -1.566566
C 7.701742 0.421529 0.575187
C 7.316626 -0.674128 -1.548658
C 8.198463 -0.123070 -0.613406
H -2.179402 4.181778 1.115360
H -3.006174 4.758823 -0.361761
H -2.672914 1.449084 1.668455
H -2.969832 0.572987 0.127059
H -0.478799 4.686832 -0.646485
H -1.335077 3.682706 -1.830671
H -5.034109 3.706516 -0.027442
H -4.568595 3.053694 1.567312
H -6.133538 1.420318 2.224988
H -4.892757 1.541731 -1.905442
H 1.326718 -1.806822 1.668940
H 0.164615 -2.726455 2.645670
H -7.585920 -0.524985 1.733467
H -6.356476 -0.415786 -2.392907
H -7.703147 -1.447988 -0.573466
H 3.735133 -0.226292 1.248694
H 3.450873 -1.004463 -0.312985
H 1.299803 -2.050460 -0.877733
H -1.001883 -4.655531 1.686368
H 5.947448 0.845988 1.756539
H 5.260307 -1.109491 -2.033434
H 1.072225 -3.688982 -2.730748
H -1.223476 -6.281562 -0.169925
H -0.187207 -5.805460 -2.380796
H 8.386432 0.854223 1.303083
H 7.701102 -1.095711 -2.476204
H 9.268550 -0.116423 -0.810890


%chk=000258126-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258126

0 1
S -0.985330 -0.956562 1.596471
S 3.325683 1.580381 -0.711869
N -3.277073 2.734785 0.161435
N 0.876645 2.674496 -0.543357
N 1.066617 0.446579 0.395485
C -2.544333 4.018794 0.263325
C -2.549665 1.628198 0.822738
C -1.236967 3.934989 -0.545124
C -1.083369 1.594847 0.444040
C -0.451633 2.688904 -0.203204
C -4.685527 2.820643 0.609901
C -0.249565 0.477804 0.731090
C -5.534536 1.631436 0.166003
C 1.569810 1.549429 -0.229286
C -6.550919 1.122784 1.010841
C -5.353636 1.052763 -1.115626
C 0.487890 -2.187525 1.601405
C -7.381686 0.061995 0.581670
C -6.177221 -0.011054 -1.544305
C -7.197273 -0.508337 -0.698598
C 0.381980 -3.248877 0.533610
C 3.927096 -0.093884 0.008287
C 5.413921 -0.220510 -0.220858
C 0.701345 -2.947171 -0.817512
C -0.020743 -4.568328 0.863026
C 6.336734 0.368113 0.683057
C 5.913918 -0.929240 -1.343514
C 0.619406 -3.943215 -1.813441
C -0.102127 -5.567487 -0.133573
C 0.217939 -5.257875 -1.475071
C 7.727690 0.247054 0.472222
C 7.305248 -1.052756 -1.556352
C 8.216348 -0.464626 -0.648673
H -2.314854 4.285148 1.326837
H -3.183998 4.821543 -0.145526
H -2.629777 1.698711 1.941709
H -3.032243 0.672336 0.542133
H -0.597469 4.818603 -0.369088
H -1.472522 3.914395 -1.626282
H -5.106103 3.747582 0.170703
H -4.766171 2.930142 1.722379
H -6.692307 1.556064 2.009356
H -4.553818 1.441187 -1.756339
H 1.367815 -1.537784 1.463448
H 0.476654 -2.609106 2.618318
H -8.164033 -0.322339 1.246112
H -6.024470 -0.453438 -2.535454
H -7.836157 -1.334201 -1.031394
H 3.660287 -0.078916 1.076482
H 3.352432 -0.886083 -0.495346
H 1.002212 -1.925819 -1.079090
H -0.270610 -4.813769 1.902792
H 5.960472 0.923688 1.550501
H 5.209569 -1.384824 -2.049982
H 0.867804 -3.697479 -2.852200
H -0.413250 -6.583155 0.135691
H 0.154591 -6.031158 -2.248855
H 8.428783 0.704853 1.179035
H 7.677076 -1.605793 -2.426124
H 9.295620 -0.559932 -0.812458


