%chk=000276417.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276417

0 1
S -3.037198 0.951728 1.164903
O -0.425420 1.601649 -1.849304
O 1.271529 3.031794 0.161389
O -1.694255 1.611334 0.334710
O -4.155264 1.790416 0.818136
O -2.603652 0.866060 2.536636
N 1.911745 0.814454 -0.363322
N 1.276533 -1.204888 0.544339
N 4.397658 0.585634 -0.078497
N 5.028259 -1.537142 0.967092
N 3.459292 -3.198431 1.578918
C -0.393759 3.029959 -1.543406
C 0.833389 2.310111 -2.060549
C -0.129123 3.381170 -0.079255
C 1.811794 2.184880 -0.878625
C -0.997688 2.684880 0.976402
C 3.095014 0.171415 0.034978
C 0.836517 -0.076031 -0.011035
C 2.682261 -1.090035 0.589413
C 3.714041 -1.952541 1.061417
C -3.106701 -0.564507 0.391026
C 5.294918 -0.315228 0.407159
C -2.203681 -1.580066 0.740355
C -4.059148 -0.794509 -0.611782
C -2.253400 -2.812334 0.093187
C -4.115238 -2.027495 -1.258139
C -3.208763 -3.046158 -0.912928
C -3.246950 -4.365041 -1.606557
H -1.083058 3.633630 -2.125025
H 1.213669 2.306210 -3.075414
H -0.131371 4.485867 0.079689
H 2.836014 2.598212 -1.071927
H -1.723075 3.394554 1.418647
H -0.356858 2.253714 1.778168
H -0.200160 0.213160 -0.225778
H 6.361321 -0.036314 0.350315
H -1.451932 -1.411492 1.522563
H -4.765707 -0.002114 -0.888091
H 2.508676 -3.481723 1.757303
H 4.206355 -3.747004 1.975327
H -1.538291 -3.590252 0.359943
H -4.858496 -2.198575 -2.034981
H -4.092350 -4.464430 -2.300769
H -2.329060 -4.528664 -2.194003
H -3.319189 -5.198156 -0.891029


%chk=000276417-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276417

0 1
S -3.581521 1.332582 1.084496
O -0.146808 1.931693 -2.156674
O 0.555996 2.225766 0.530530
O -2.431141 2.239304 -0.141016
O -5.108378 1.797141 0.824842
O -2.905468 1.520842 2.550319
N 1.910542 0.475632 -0.365951
N 1.531508 -1.783733 -0.455376
N 4.175848 0.472480 0.657639
N 4.986606 -1.808973 1.089643
N 3.733178 -3.743145 0.574442
C 0.009919 3.298458 -1.536213
C 1.218948 2.449569 -1.765173
C -0.230264 3.352636 -0.027341
C 1.668212 1.906378 -0.408305
C -1.668220 3.313079 0.499595
C 3.054175 -0.131320 0.177001
C 1.031542 -0.563971 -0.724914
C 2.802471 -1.525681 0.104136
C 3.837282 -2.378044 0.589430
C -3.335566 -0.398312 0.428234
C 5.090780 -0.445150 1.097538
C -2.107951 -1.034740 0.673399
C -4.390224 -0.979728 -0.291001
C -1.935132 -2.335552 0.156498
C -4.193836 -2.288731 -0.785072
C -2.972008 -2.979632 -0.573454
C -2.769190 -4.384921 -1.107146
H -0.274470 4.139091 -2.175863
H 1.938936 2.584302 -2.576303
H 0.203517 4.315206 0.332765
H 2.605066 2.395915 -0.074604
H -2.154170 4.286624 0.288772
H -1.634565 3.154722 1.598673
H 0.061045 -0.353589 -1.166242
H 6.022434 -0.041988 1.504893
H -1.314361 -0.535885 1.238202
H -5.323113 -0.431363 -0.454725
H 2.896970 -4.186358 0.201379
H 4.505808 -4.299225 0.934932
H -0.971011 -2.836610 0.299549
H -4.998616 -2.772355 -1.349703
H -3.538929 -4.655778 -1.849346
H -1.778024 -4.491411 -1.582970
H -2.818620 -5.127521 -0.287916


