%chk=000196416.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196416

0 1
S -2.829138 -2.827798 -1.585704
P -1.745544 -1.289652 -1.502686
P 0.280317 -2.258180 0.593419
P 3.265860 -2.376808 0.150933
O -1.931581 1.624775 1.837580
O -4.949711 2.724759 0.733071
O -2.319601 0.030681 -0.706707
O -0.264038 -1.561261 -0.791286
O -1.253079 -0.650648 -2.897681
O 1.793547 -1.744052 0.697995
O 0.669850 -3.769385 0.033842
O -0.639864 -2.109157 1.709042
O 3.206472 -3.923241 0.628037
O 4.249014 -1.751205 1.261350
O 3.490865 -2.056193 -1.263115
N -0.456907 2.414003 0.161333
N 0.370188 1.510695 -1.793296
N 1.563833 2.023448 1.609506
N 3.363967 0.860788 0.417431
N 3.314961 0.486943 -1.935335
C -3.666536 2.274051 0.289561
C -3.168544 1.150308 1.240726
C -1.466734 2.809769 1.180634
C -2.700330 3.449164 0.530794
C -2.914590 -0.216732 0.605398
C 0.848809 1.972022 0.436889
C -0.694187 2.078453 -1.209466
C 1.354147 1.426612 -0.792905
C 2.679852 0.890669 -0.785316
C 2.782804 1.442387 1.525272
H -3.718648 1.948843 -0.768797
H -3.851710 1.036795 2.119862
H -0.955418 3.391367 1.987267
H -3.178202 4.172123 1.231722
H -2.487579 4.030525 -0.379962
H -3.860206 -0.776950 0.465512
H -2.209845 -0.789515 1.261848
H -5.668406 2.233446 0.285527
H -1.642247 2.278607 -1.694559
H 3.390096 1.420437 2.447728
H 2.735613 0.264380 -2.738371
H 4.145610 -0.102947 -1.860649
H -0.429978 -0.019841 -2.856257
H -0.029651 -4.318694 -0.404133
H 2.479842 -4.507086 0.227575
H 4.451425 -0.742806 1.150471


%chk=000196416-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196416

0 1
S -2.369789 -2.867526 -1.929699
P -1.233491 -1.174431 -1.543774
P 0.295991 -2.827059 0.638839
P 3.554850 -2.665125 0.373769
O -1.746466 1.891652 1.815107
O -5.025998 2.618191 0.659617
O -2.014155 0.140547 -0.693659
O 0.145721 -1.478473 -0.503024
O -0.572203 -0.328042 -2.816309
O 1.897604 -2.722865 1.083353
O 0.274682 -4.229058 -0.332888
O -0.772654 -2.694868 1.796826
O 4.214148 -4.106809 0.993116
O 4.240183 -1.411277 1.125325
O 3.447087 -2.598548 -1.231150
N -0.462655 2.862704 0.025176
N 0.245376 1.842792 -1.881622
N 1.415999 2.236041 1.527521
N 2.896250 0.652190 0.443578
N 2.661635 -0.084232 -1.824436
C -3.634559 2.322355 0.310507
C -2.981327 1.258350 1.252518
C -1.469054 3.140638 1.112808
C -2.824177 3.618083 0.574309
C -2.662848 -0.101133 0.623091
C 0.785530 2.281643 0.312232
C -0.729848 2.578609 -1.304489
C 1.202059 1.642589 -0.873480
C 2.291850 0.715645 -0.807990
C 2.465306 1.404317 1.522381
H -3.558310 1.988599 -0.741884
H -3.647438 1.087611 2.119495
H -0.981264 3.809389 1.836346
H -3.346159 4.162783 1.379274
H -2.758371 4.285153 -0.300045
H -3.598051 -0.671841 0.458551
H -1.994795 -0.687504 1.282390
H -5.623590 1.916051 0.299246
H -1.649572 2.858339 -1.806887
H 3.031830 1.260407 2.444951
H 2.109753 -0.028310 -2.684871
H 3.155452 -1.015877 -1.669994
H -0.194555 0.693895 -2.585229
H -0.560207 -4.311473 -0.885496
H 3.872084 -4.933203 0.563927
H 3.612943 -0.177016 0.696777


