%chk=000225952.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225952

0 1
S 1.398846 0.886573 1.443561
O -1.918318 3.698770 -0.779012
O -3.071065 2.608123 0.838297
O 0.042921 -0.123415 -1.645125
N -1.263557 0.431402 0.146156
C 0.096265 2.187786 1.343840
C -0.821927 1.834292 0.138658
C -0.607915 2.074717 2.687151
C 0.726885 3.553167 1.136779
C -2.084478 2.706179 0.149824
C 2.401503 1.057228 -0.072541
C -0.682802 -0.491810 -0.735575
C 3.238473 -0.179612 -0.092891
C -1.077165 -1.912070 -0.476386
C -3.017512 4.644011 -0.994003
C 2.921285 -1.225025 -0.975687
C 4.343477 -0.304726 0.764671
C -2.352020 -2.368241 -0.832708
C -0.140835 -2.779651 0.100125
C 3.703357 -2.381447 -0.999056
C 5.120095 -1.466074 0.737276
C -4.099069 3.988667 -1.825180
C 4.803138 -2.505210 -0.143358
C -2.691272 -3.705401 -0.607534
C -0.489327 -4.114643 0.324343
C -1.761707 -4.576575 -0.028860
H -0.262003 2.032928 -0.829771
H -0.940384 1.052807 2.915811
H -1.506941 2.709082 2.730781
H 0.042281 2.386979 3.516879
H 1.247236 3.644219 0.174928
H 1.460030 3.785137 1.922376
H -0.027075 4.353456 1.160109
H -1.784513 0.124239 0.967196
H 3.011859 1.977136 -0.032217
H 1.745599 1.127610 -0.969844
H -3.382622 4.985856 -0.009757
H -2.488182 5.455953 -1.525643
H 2.060224 -1.127882 -1.646189
H 4.593429 0.499123 1.455076
H -3.071795 -1.687352 -1.286909
H 0.854295 -2.414552 0.369136
H 3.456138 -3.187220 -1.688384
H 5.974958 -1.560757 1.404428
H -3.685078 3.520703 -2.728669
H -4.613677 3.197491 -1.259113
H -4.857883 4.713624 -2.142424
H 5.411352 -3.406591 -0.164120
H -3.679801 -4.068441 -0.884580
H 0.233606 -4.794664 0.773191
H -2.029329 -5.618202 0.145741


%chk=000225952-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225952

0 1
S 1.511632 0.782275 1.635667
O -1.712740 3.560873 -0.886618
O -3.127850 2.432188 0.587171
O 0.102719 -0.645442 -1.278956
N -1.363670 0.238333 0.296404
C 0.041786 2.015680 1.460497
C -0.828476 1.596750 0.207980
C -0.733734 1.850808 2.787032
C 0.567778 3.456851 1.301918
C -2.017803 2.548959 0.010376
C 2.544384 1.125707 0.056403
C -0.874577 -0.801445 -0.476219
C 3.643036 0.091865 -0.039757
C -1.558847 -2.132196 -0.305445
C -2.799170 4.556134 -1.180680
C 3.418543 -1.118767 -0.747335
C 4.904194 0.308752 0.573055
C -2.902596 -2.261561 0.134812
C -0.819786 -3.297893 -0.630185
C 4.441633 -2.087808 -0.844608
C 5.926434 -0.662292 0.477604
C -3.687519 4.051418 -2.319751
C 5.697875 -1.863909 -0.232666
C -3.489618 -3.539727 0.261320
C -1.404181 -4.573958 -0.495557
C -2.740456 -4.698958 -0.046434
H -0.193089 1.641220 -0.692198
H -1.003855 0.795572 2.972056
H -1.661713 2.451081 2.775989
H -0.107905 2.188694 3.630933
H 1.054793 3.613665 0.323744
H 1.299605 3.673674 2.098786
H -0.257606 4.189819 1.380713
H -2.133972 0.082901 0.948678
H 2.948283 2.148061 0.135167
H 1.853183 1.034839 -0.796395
H -3.379777 4.722484 -0.256449
H -2.243800 5.466612 -1.455688
H 2.439632 -1.283454 -1.213114
H 5.082446 1.239568 1.125584
H -3.514616 -1.375069 0.343362
H 0.208016 -3.177642 -0.987008
H 4.261503 -3.016051 -1.399218
H 6.897514 -0.482389 0.953085
H -3.087264 3.826664 -3.217793
H -4.234629 3.142628 -2.018256
H -4.428682 4.828322 -2.583895
H 6.490949 -2.616607 -0.309763
H -4.530370 -3.630435 0.590974
H -0.822017 -5.469150 -0.739866
H -3.196619 -5.689949 0.055342


