%chk=000220991.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220991

0 1
S 0.000875 2.562028 0.412196
O 0.001389 2.786147 1.889073
O -5.348986 -1.634933 1.330837
O 5.360268 -1.621613 1.333397
N -4.670649 -0.999661 -0.782864
N 4.666688 -1.007604 -0.781641
C -1.353619 1.451530 0.073285
C 1.353068 1.448599 0.073539
C -3.553195 -0.174700 -0.447085
C 3.550586 -0.180667 -0.446188
C -2.054503 0.874257 1.133210
C 2.062182 0.882729 1.134161
C -1.744745 1.230642 -1.245528
C 1.734559 1.214226 -1.245763
C -3.156889 0.057556 0.882353
C 3.163667 0.064720 0.883655
C -2.844375 0.416290 -1.518249
C 2.833159 0.398369 -1.518140
C -5.510754 -1.686228 0.130926
C 5.513629 -1.684627 0.132935
C -6.605099 -2.471700 -0.536867
C 6.603895 -2.475858 -0.534745
H -1.740237 1.068996 2.166976
H 1.754829 1.087279 2.168167
H -1.204243 1.687120 -2.075117
H 1.187031 1.660954 -2.076035
H -3.705829 -0.396428 1.715383
H 3.719045 -0.380285 1.717259
H -3.145488 0.245265 -2.547325
H 3.126715 0.216824 -2.547597
H -4.867100 -1.090563 -1.781684
H 4.856257 -1.108116 -1.780867
H -7.287672 -1.837037 -1.117265
H -7.217989 -2.978179 0.229601
H -6.218522 -3.256293 -1.200466
H 6.213389 -3.266412 -1.188889
H 7.221765 -2.975334 0.232317
H 7.282594 -1.846193 -1.125054


%chk=000220991-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220991

0 1
S 0.000499 2.716613 0.399561
O 0.001203 2.777806 2.072168
O -5.393289 -1.750845 1.410677
O 5.395876 -1.748984 1.410493
N -4.730287 -1.025620 -0.723544
N 4.727757 -1.030229 -0.724332
C -1.441678 1.520761 0.010399
C 1.441641 1.519286 0.009856
C -3.628480 -0.175801 -0.424906
C 3.626900 -0.179196 -0.425592
C -2.080704 0.932625 1.111372
C 2.083308 0.934521 1.111072
C -1.875547 1.304476 -1.309277
C 1.871888 1.298466 -1.310245
C -3.178981 0.072427 0.902020
C 3.180891 0.073421 0.901659
C -2.973398 0.447435 -1.524309
C 2.968986 0.440487 -1.525325
C -5.542665 -1.753656 0.155962
C 5.542115 -1.755747 0.155418
C -6.635916 -2.558960 -0.547265
C 6.633535 -2.563376 -0.547991
H -1.709650 1.164554 2.118097
H 1.714557 1.169485 2.117946
H -1.385357 1.789287 -2.161168
H 1.379301 1.780217 -2.162483
H -3.692987 -0.403117 1.738665
H 3.696904 -0.399586 1.738504
H -3.325994 0.266817 -2.547948
H 3.318702 0.256237 -2.549306
H -4.957164 -1.114409 -1.717163
H 4.952094 -1.122230 -1.718235
H -7.318252 -1.900680 -1.116578
H -7.218707 -3.095566 0.214726
H -6.204555 -3.297394 -1.248445
H 6.200562 -3.302185 -1.247776
H 7.216568 -3.099646 0.214052
H 7.316022 -1.906595 -1.118857


