%chk=000251745.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251745

0 1
S -0.485318 0.514006 -0.488029
S 1.821434 -0.247918 1.281117
O -0.011927 0.204539 -1.836495
O -0.384300 1.919056 -0.076069
N 0.393648 -0.393015 0.601401
C -2.107888 -0.036693 -0.290703
C -3.057610 0.802838 0.301350
C -2.476480 -1.315216 -0.719550
C -4.748356 -0.915961 0.033840
C 3.147491 -0.430946 0.109854
C -4.373675 0.369556 0.462858
C -3.791526 -1.756385 -0.559950
C 2.083416 1.486503 1.708330
C 2.950473 -0.504989 -1.265452
C 4.425557 -0.585228 0.660530
C -6.159046 -1.378478 0.191702
C 4.049236 -0.730402 -2.107304
C 5.517187 -0.807988 -0.181055
C 5.328090 -0.880197 -1.568170
H -2.766941 1.806844 0.634181
H -1.736832 -1.974029 -1.185367
H -5.108775 1.028253 0.919471
H -4.073151 -2.751112 -0.897595
H 1.430717 2.171625 1.124566
H 3.109949 1.823639 1.548436
H 1.821751 1.652983 2.758211
H 1.949027 -0.389147 -1.717113
H 4.582034 -0.536516 1.737996
H -6.231496 -2.466393 0.326662
H -6.659975 -0.914539 1.052316
H -6.751268 -1.124414 -0.701407
H 3.895991 -0.784844 -3.184965
H 6.514156 -0.927311 0.238356
H 6.180707 -1.053823 -2.223453


%chk=000251745-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251745

0 1
S -0.441009 0.438108 -0.526493
S 1.930094 -0.074453 1.436801
O 0.035835 -0.100257 -2.005449
O -0.362049 2.058772 -0.254166
N 0.293589 -0.552571 0.915290
C -2.214662 -0.132490 -0.278814
C -3.035028 0.605453 0.588210
C -2.658907 -1.256709 -0.991434
C -4.873408 -0.949909 0.052210
C 3.312280 -0.404776 0.166238
C -4.373574 0.184565 0.745621
C -4.000930 -1.659698 -0.814856
C 2.098791 1.841714 1.574789
C 3.048281 -0.548962 -1.207874
C 4.604955 -0.549162 0.715150
C -6.322227 -1.375054 0.209388
C 4.142775 -0.826400 -2.063680
C 5.683954 -0.821147 -0.157230
C 5.451798 -0.957201 -1.546179
H -2.642534 1.487522 1.103885
H -1.980390 -1.781753 -1.671028
H -5.037033 0.742288 1.416752
H -4.373943 -2.536552 -1.356693
H 1.748106 2.291451 0.636110
H 3.162160 2.031575 1.784143
H 1.452517 2.134963 2.413770
H 2.031387 -0.454613 -1.616019
H 4.774826 -0.466891 1.795176
H -6.441861 -2.464739 0.079586
H -6.719753 -1.101242 1.202119
H -6.961145 -0.881684 -0.548607
H 3.961068 -0.938509 -3.137814
H 6.694313 -0.934917 0.249956
H 6.288023 -1.172425 -2.220356


