%chk=000263967.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000263967

0 1
S 5.141102 -1.313504 -0.282805
O -4.437142 3.321107 0.412677
O -5.795129 -2.769992 -0.771515
N -3.239370 -0.158201 -0.106502
N 0.302196 -0.956155 0.842235
N 2.213473 -2.241397 0.824358
N 1.220170 1.106311 -0.233110
N 3.638253 0.854396 -0.765219
N 2.427244 2.802536 -1.355058
C -1.864119 -0.700261 -0.335773
C -1.111526 -0.583043 1.010504
C -3.294029 1.318479 -0.340066
C -4.267866 -0.886814 -0.909851
C 1.294960 -0.172227 0.253338
C -4.352331 1.904521 0.612956
C -4.721834 -2.109660 -0.090669
C 0.920726 -2.215474 1.156846
C 2.493106 -0.988469 0.256751
C 3.660279 -0.397830 -0.275820
C 2.419306 1.555666 -0.746734
C 6.350913 -0.216334 -1.040145
H -1.907229 -1.764385 -0.649953
H -1.303147 -0.164791 -1.135129
H -1.165935 0.465125 1.394165
H -1.583163 -1.232105 1.781053
H -3.533002 1.599798 -1.388177
H -2.303778 1.778898 -0.126819
H -3.915065 -1.195319 -1.915284
H -5.152984 -0.234602 -1.090343
H -5.375577 1.558182 0.374487
H -4.127545 1.683391 1.670086
H -3.903382 -2.823193 0.098516
H -5.181427 -1.810977 0.871651
H 0.363357 -3.015373 1.623035
H -3.624443 3.764201 0.723326
H -5.483777 -3.175600 -1.603109
H 3.317478 3.230453 -1.564819
H 1.647867 3.423413 -1.196337
H 6.501172 0.697106 -0.449493
H 6.047367 0.094249 -2.049460
H 7.302730 -0.758024 -1.106794


%chk=000263967-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000263967

0 1
S 5.226235 -1.373405 -0.299074
O -4.422601 3.408608 0.370039
O -5.888324 -2.851520 -0.641392
N -3.238948 -0.151830 -0.253346
N 0.308553 -1.014091 0.777554
N 2.203115 -2.322141 0.772589
N 1.234892 1.061310 -0.192330
N 3.639479 0.842369 -0.696402
N 2.478246 2.829778 -1.115497
C -1.889300 -0.729853 -0.398487
C -1.096131 -0.606285 0.929067
C -3.313330 1.317476 -0.429272
C -4.332610 -0.916188 -0.889838
C 1.325171 -0.224106 0.239993
C -4.243387 1.969272 0.617307
C -4.790187 -2.102082 -0.013580
C 0.895893 -2.262415 1.072264
C 2.494759 -1.047824 0.247609
C 3.675585 -0.438477 -0.253406
C 2.440638 1.533696 -0.649403
C 6.372870 -0.073025 -1.029421
H -1.976027 -1.798806 -0.667098
H -1.303445 -0.236673 -1.207175
H -1.108691 0.444811 1.267569
H -1.571922 -1.222651 1.710904
H -3.669016 1.603004 -1.445540
H -2.293424 1.738091 -0.321613
H -4.044851 -1.292903 -1.904166
H -5.200681 -0.249250 -1.038325
H -5.261325 1.551048 0.547418
H -3.854940 1.769535 1.637693
H -3.933565 -2.771286 0.219545
H -5.205609 -1.728084 0.935099
H 0.320059 -3.074761 1.511883
H -3.558473 3.871760 0.510370
H -5.569950 -3.241038 -1.494965
H 3.357873 3.204619 -1.457790
H 1.630567 3.388886 -1.104322
H 6.409191 0.804112 -0.368721
H 6.013088 0.224125 -2.024122
H 7.358423 -0.559706 -1.094619


