%chk=000082084.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000082084

0 1
S -8.535965 -0.245720 -0.739660
N 6.039129 -0.211335 0.145822
N 0.398593 -0.324541 -0.240455
N -0.344070 0.303315 0.557693
N -5.945963 0.087530 0.147902
C 4.635558 -0.141925 0.011025
C 3.961011 -0.948074 -0.943903
C 3.861528 0.638460 0.910866
C 1.813579 -0.207344 -0.083682
C 2.575295 -0.982843 -0.985703
C 2.476586 0.599732 0.865788
C 6.825851 -0.710700 -1.012541
C 6.725357 0.896293 0.861635
C -1.769676 0.177163 0.367632
C -2.391771 -0.261881 -0.816831
C -2.546984 0.585166 1.471486
C -4.545424 0.110947 0.204945
C -3.781437 -0.295881 -0.905911
C -3.936376 0.551402 1.396357
C -7.029397 -0.088456 -0.321225
H 4.526894 -1.558320 -1.644524
H 4.350246 1.264591 1.654382
H 2.063298 -1.610118 -1.719688
H 1.888082 1.199273 1.565689
H 6.804936 -0.032121 -1.880452
H 7.875968 -0.860057 -0.710382
H 6.441540 -1.697484 -1.328646
H 6.692623 1.854429 0.318418
H 6.266276 1.040872 1.856531
H 7.780969 0.627508 1.034233
H -1.780352 -0.577294 -1.666789
H -2.052171 0.926510 2.384447
H -4.265828 -0.633909 -1.821556
H -4.547005 0.861911 2.245000


%chk=000082084-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000082084

0 1
S -8.763053 -0.171951 -0.186017
N 6.053371 -0.001130 -0.001425
N 0.400182 -0.267546 -0.391482
N -0.329894 0.336081 0.526736
N -5.938989 -0.005749 0.046209
C 4.663905 -0.051750 -0.075559
C 4.001550 -0.749064 -1.140947
C 3.844245 0.595541 0.915511
C 1.798272 -0.151043 -0.219340
C 2.603573 -0.792329 -1.202502
C 2.450361 0.546205 0.843879
C 6.872180 -0.682676 -1.015514
C 6.714318 0.728941 1.091699
C -1.736403 0.200071 0.329245
C -2.352353 -0.516486 -0.740727
C -2.557223 0.842285 1.297074
C -4.564579 0.063022 0.140865
C -3.748370 -0.584941 -0.834818
C -3.957446 0.779341 1.210793
C -7.139563 -0.077813 -0.054627
H 4.581963 -1.253017 -1.917849
H 4.311965 1.135602 1.743474
H 2.095590 -1.323593 -2.014552
H 1.830517 1.038741 1.599637
H 6.695022 -0.271187 -2.029292
H 7.938205 -0.548951 -0.775959
H 6.662536 -1.770300 -1.044607
H 6.426361 1.798597 1.100516
H 6.467111 0.297416 2.082106
H 7.805862 0.673780 0.960242
H -1.710051 -1.006312 -1.478239
H -2.066693 1.386381 2.110390
H -4.230972 -1.131962 -1.651230
H -4.590601 1.272896 1.954214


