%chk=000274529.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274529

0 1
S -2.730686 1.673880 -1.345095
O 5.054393 -0.805724 -0.083000
O 3.336055 -2.238098 -0.335960
O -3.247639 1.656247 -2.701611
O -2.657382 2.925782 -0.636174
N -0.413241 0.866272 -0.442790
N -1.116253 1.061163 -1.594600
C 1.754504 0.325668 0.755329
C 1.979982 0.428641 -1.468146
C 2.964027 0.198426 -0.255274
C 0.842536 0.597523 -0.451440
C 1.393347 -0.942164 1.508058
C 1.894199 1.520442 1.687327
C 1.792158 -0.763106 -2.390185
C 2.297560 1.700711 -2.242339
C 3.715522 -1.091681 -0.239042
C 5.981706 -1.944454 -0.038879
C 7.341030 -1.302506 0.136729
C -3.511767 0.482116 -0.392963
C -3.271279 0.407406 0.984285
C -4.398880 -0.419713 -0.995310
C -3.914810 -0.559099 1.757601
C -5.045152 -1.387004 -0.228377
C -4.805457 -1.464733 1.155973
C -5.505858 -2.490840 1.981484
H 3.684215 1.039740 -0.142073
H 0.403802 -0.852930 1.973115
H 1.355579 -1.819141 0.841613
H 2.117213 -1.169849 2.297876
H 2.701204 1.373017 2.413535
H 2.099180 2.449987 1.142660
H 0.964838 1.686838 2.249033
H 2.679955 -0.942204 -3.008056
H 1.607712 -1.691605 -1.823840
H 0.941058 -0.627083 -3.065443
H 3.287767 1.642975 -2.711398
H 1.571796 1.881648 -3.043377
H 2.290531 2.588392 -1.597146
H -0.649028 1.096757 -2.510733
H 5.683168 -2.586522 0.807428
H 5.874187 -2.500499 -0.985913
H 8.133983 -2.057923 0.186147
H 7.572351 -0.620732 -0.693281
H 7.384966 -0.702864 1.056397
H -2.574804 1.108763 1.458710
H -4.589517 -0.361311 -2.074263
H -3.725256 -0.609898 2.827925
H -5.735663 -2.082308 -0.701738
H -5.732876 -3.404809 1.414732
H -4.920703 -2.797033 2.859994
H -6.465171 -2.098858 2.355693


%chk=000274529-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000274529

0 1
S -2.725644 1.831049 -1.085133
O 5.353359 -0.618892 -0.194506
O 3.703387 -2.259146 -0.276783
O -3.297537 2.079785 -2.589645
O -2.483357 3.056435 -0.042401
N -0.311885 0.744958 -0.301102
N -1.083019 0.848044 -1.449050
C 1.933644 0.260563 0.798672
C 2.000453 0.232964 -1.478282
C 3.093973 0.145878 -0.306529
C 0.961599 0.480879 -0.365825
C 1.624201 -1.010058 1.620354
C 2.104017 1.482779 1.727061
C 1.731066 -1.063536 -2.277118
C 2.259605 1.420866 -2.435810
C 4.017228 -1.043254 -0.262881
C 6.383502 -1.702504 -0.131512
C 7.741308 -1.014043 -0.037570
C -3.736003 0.511415 -0.219931
C -3.760552 0.512004 1.182852
C -4.441482 -0.408259 -1.011516
C -4.539644 -0.477291 1.822219
C -5.213104 -1.385247 -0.346151
C -5.272886 -1.435070 1.072697
C -6.129776 -2.473685 1.773009
H 3.712864 1.057527 -0.298963
H 0.658076 -0.874404 2.138653
H 1.562596 -1.910613 0.988089
H 2.408831 -1.183508 2.380205
H 2.946737 1.321704 2.424819
H 2.298457 2.407362 1.154153
H 1.183904 1.640526 2.317728
H 2.551783 -1.251363 -2.994090
H 1.652010 -1.944498 -1.620677
H 0.788947 -0.962389 -2.846977
H 3.207012 1.258592 -2.982752
H 1.457896 1.515563 -3.193538
H 2.336978 2.379704 -1.892370
H -0.670700 1.345575 -2.270752
H 6.165873 -2.337610 0.746331
H 6.285223 -2.327666 -1.037612
H 8.543742 -1.772706 0.009872
H 7.920985 -0.373613 -0.918003
H 7.803438 -0.385859 0.867435
H -3.199476 1.263960 1.745908
H -4.396855 -0.352307 -2.103730
H -4.576238 -0.506198 2.917227
H -5.775117 -2.117936 -0.936517
H -6.201059 -3.404971 1.184822
H -5.728376 -2.726291 2.769611
H -7.160882 -2.097508 1.919202


