%chk=000234592.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234592

0 1
S 2.719336 1.508031 2.000823
N 2.047709 0.321482 -0.457588
N 4.268299 0.992381 -0.041392
N 5.113136 0.489062 -2.376129
C -1.329066 -1.280689 -0.241655
C -2.162557 -0.121579 0.055367
C 0.069333 -1.126198 -0.399410
C -1.561048 1.153119 0.181057
C 0.649313 0.203922 -0.231807
C -0.132834 1.291926 0.040238
C -1.890090 -2.578204 -0.385904
C -3.569763 -0.229035 0.215447
C 0.869076 -2.254148 -0.720301
C -2.368652 2.289980 0.457059
C -1.095014 -3.667241 -0.685520
C 0.297687 -3.504179 -0.859358
C -4.340517 0.884854 0.485805
C -3.734641 2.157078 0.606498
C 2.915250 0.838903 0.333049
C 1.801891 0.198420 2.830216
C 4.713492 0.709911 -1.310342
H 0.296241 2.288854 0.143795
H -2.966620 -2.705960 -0.261888
H -4.040891 -1.208890 0.118771
H 1.942418 -2.120287 -0.874410
H -1.894585 3.266578 0.545636
H -1.534162 -4.658055 -0.796362
H 0.911018 -4.368192 -1.109933
H -5.418842 0.795039 0.605545
H -4.356678 3.026145 0.816025
H 4.972251 1.240375 0.662101
H 0.775164 0.105591 2.444687
H 1.738661 0.458525 3.897676
H 2.292986 -0.778818 2.747706


%chk=000234592-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000234592

0 1
S 2.849930 1.648079 2.060912
N 2.097725 0.169838 -0.304939
N 4.277938 1.025664 -0.131934
N 4.974109 0.516868 -2.536381
C -1.353259 -1.351259 -0.277861
C -2.173287 -0.178016 0.041144
C 0.078324 -1.218304 -0.380125
C -1.520027 1.094009 0.235139
C 0.700816 0.080679 -0.140381
C -0.086459 1.192026 0.143838
C -1.920224 -2.644337 -0.500104
C -3.595080 -0.228514 0.161359
C 0.878203 -2.353201 -0.711360
C -2.303312 2.254159 0.532887
C -1.120022 -3.751055 -0.814171
C 0.291517 -3.606074 -0.926003
C -4.344945 0.918914 0.457837
C -3.695577 2.172963 0.645093
C 2.969899 0.822247 0.375828
C 1.729298 0.425942 2.964289
C 4.631469 0.748215 -1.412184
H 0.384675 2.170872 0.289357
H -3.003066 -2.783513 -0.430114
H -4.122896 -1.176381 0.019311
H 1.958649 -2.212615 -0.811134
H -1.791561 3.213823 0.671879
H -1.583777 -4.729433 -0.981365
H 0.913200 -4.469186 -1.187091
H -5.434972 0.851383 0.542953
H -4.286168 3.066849 0.872924
H 4.995479 1.339078 0.527987
H 0.676554 0.634248 2.731487
H 1.932316 0.575497 4.035464
H 1.991831 -0.600762 2.670960


