%chk=000211651.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211651

0 1
S -3.429251 0.767151 1.413363
S -2.204833 3.319710 0.498777
O -2.263184 -0.993155 -1.509146
N -1.473406 0.841597 -0.277577
C -1.775922 -0.634381 -0.215001
C -2.868689 -0.859761 0.844433
C -0.544634 -1.485912 0.028918
C -0.427507 1.315004 -1.230501
C -2.242138 1.687953 0.457994
C 0.952142 1.335349 -0.617547
C 0.245336 -1.250339 1.164480
C -0.217431 -2.522872 -0.853903
C 1.926325 0.434456 -1.074566
C 1.280641 2.270127 0.373875
C 1.356169 -2.058926 1.415064
C 0.896472 -3.327826 -0.597387
C 1.681696 -3.098332 0.536209
C 3.218310 0.472201 -0.543836
C 2.572882 2.299770 0.905693
C 3.543582 1.403681 0.447550
H -3.715523 -1.437844 0.425405
H -2.495671 -1.451167 1.704634
H -0.695067 2.341681 -1.590599
H -0.461264 0.646214 -2.125430
H -3.063412 -0.479255 -1.760626
H 0.006792 -0.427680 1.840590
H -0.834277 -2.698073 -1.739280
H 1.676380 -0.303837 -1.835294
H 0.530215 2.979355 0.730044
H 1.973739 -1.873151 2.293021
H 1.150256 -4.134862 -1.283024
H 2.548716 -3.726963 0.735250
H 3.971559 -0.226793 -0.902410
H 2.822854 3.027260 1.676503
H 4.550143 1.432318 0.859726


%chk=000211651-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211651

0 1
S -3.713619 0.922904 1.021730
S -2.297317 3.411130 -0.156007
O -2.500274 -1.029890 -1.400801
N -1.390766 0.799626 -0.281463
C -1.801372 -0.643630 -0.169847
C -2.755817 -0.708046 1.048904
C -0.619511 -1.599031 0.001542
C -0.294920 1.159409 -1.225369
C -2.317842 1.741664 0.125421
C 1.071798 1.344884 -0.576975
C 0.289562 -1.409053 1.072620
C -0.453426 -2.701981 -0.868106
C 2.207660 0.695288 -1.117327
C 1.234535 2.204223 0.539618
C 1.355167 -2.311708 1.268427
C 0.615681 -3.605192 -0.669757
C 1.521352 -3.414610 0.398168
C 3.488653 0.899004 -0.555600
C 2.512520 2.402837 1.106639
C 3.644665 1.752228 0.560593
H -3.448458 -1.555356 0.945715
H -2.204537 -0.772559 1.997342
H -0.609678 2.104598 -1.709717
H -0.258987 0.368746 -1.995286
H -3.325023 -0.478800 -1.471242
H 0.185483 -0.542714 1.735816
H -1.163551 -2.844089 -1.686293
H 2.089133 0.018911 -1.973017
H 0.361898 2.723789 0.951250
H 2.059311 -2.148170 2.091134
H 0.737098 -4.458138 -1.346638
H 2.349399 -4.115709 0.551340
H 4.359196 0.388937 -0.983220
H 2.627476 3.072029 1.966974
H 4.636511 1.911167 0.998835


