%chk=000214172.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214172

0 1
S -2.578302 -2.122160 -0.993877
O 0.454308 2.018283 0.389186
O 0.224514 0.978202 -1.616326
N 3.177210 1.217023 -0.176061
C -0.640823 -0.047557 0.478190
C -2.126404 0.208377 0.431065
C -0.137496 -1.422166 0.116020
C 2.808961 2.583244 0.313197
C -3.044147 -0.644544 -0.181381
C -0.917109 -2.393087 -0.513268
C 0.052980 0.973297 -0.426926
C 1.403269 2.970337 -0.167166
C 4.354828 0.675574 0.581107
C 3.420188 1.202209 -1.658244
C -2.605521 1.385186 1.041505
C 1.201004 -1.733384 0.425327
C -4.415828 -0.354292 -0.193792
C -0.400964 -3.658977 -0.822324
C -3.965947 1.684622 1.032300
C 1.726221 -2.986678 0.117452
C 3.905118 0.198881 1.963329
C 3.279170 -0.225249 -2.186837
C -4.874307 0.813711 0.413547
C 0.924495 -3.953590 -0.504944
H -0.305501 0.155971 1.542511
H 3.529446 3.373447 0.010206
H 2.805083 2.557207 1.428103
H 1.312867 2.983208 -1.270876
H 1.068746 3.930645 0.260847
H 4.763882 -0.191207 0.012583
H 5.183944 1.408639 0.676255
H 2.640604 1.833814 -2.148011
H 4.406630 1.627192 -1.937717
H -1.897659 2.070730 1.512642
H 1.846939 -0.972537 0.891296
H -5.122221 -1.033231 -0.673739
H -1.025077 -4.409898 -1.308543
H -4.325602 2.597503 1.504493
H 2.763546 -3.214156 0.357060
H 3.003758 -0.434647 1.876918
H 3.644990 1.032919 2.624014
H 4.686770 -0.388886 2.453779
H 4.009833 -0.910124 -1.745835
H 3.395651 -0.253296 -3.274911
H 2.276499 -0.621318 -1.954122
H -5.937219 1.050240 0.407706
H 1.336874 -4.932775 -0.742437


%chk=000214172-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214172

0 1
S -2.531121 -1.612920 -1.636051
O 0.436160 1.899303 0.193156
O 0.414763 0.485530 -1.673090
N 3.355712 1.509036 -0.288870
C -0.570665 -0.257119 0.504836
C -2.055678 0.114334 0.577010
C -0.297206 -1.705596 0.122807
C 2.713872 2.816614 -0.040893
C -3.002600 -0.409064 -0.338333
C -1.074875 -2.391719 -0.840649
C 0.148016 0.704462 -0.475135
C 1.261936 2.892092 -0.542505
C 4.438686 1.209016 0.685658
C 3.763672 1.312404 -1.707807
C -2.504021 1.034902 1.556786
C 0.801007 -2.384764 0.705388
C -4.359682 -0.009471 -0.286274
C -0.752056 -3.713023 -1.229884
C -3.852627 1.444339 1.613871
C 1.136963 -3.700618 0.323634
C 3.904530 0.749032 2.056154
C 3.858610 -0.172568 -2.103978
C -4.782514 0.923731 0.682954
C 0.360194 -4.363368 -0.655169
H -0.123894 -0.053235 1.493403
H 3.274688 3.669428 -0.507156
H 2.705251 3.000630 1.048244
H 1.174989 2.692547 -1.624509
H 0.821974 3.875131 -0.303875
H 5.057361 0.398865 0.260760
H 5.120936 2.086698 0.820744
H 2.996561 1.783426 -2.347958
H 4.730489 1.834801 -1.925076
H -1.774326 1.447316 2.262722
H 1.407258 -1.861456 1.455049
H -5.079604 -0.436812 -0.992585
H -1.372985 -4.231249 -1.968496
H -4.176191 2.162229 2.374955
H 1.995569 -4.203482 0.781085
H 3.290326 -0.160514 1.932366
H 3.274765 1.519916 2.536380
H 4.741789 0.522585 2.742891
H 4.615024 -0.716809 -1.509235
H 4.141721 -0.265445 -3.169212
H 2.879631 -0.658626 -1.957142
H -5.833280 1.231412 0.717942
H 0.609075 -5.385219 -0.961612


