%chk=000228794.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228794

0 1
S -3.775217 0.341014 -0.515005
O -2.189190 -1.652556 0.105422
O 1.098346 2.654013 0.333227
N 2.248224 -1.236098 0.264837
N 2.550968 1.028955 1.039466
N 4.144738 -0.650607 1.620379
C -1.407285 -0.248056 -1.744621
C -0.549961 -1.409344 -2.282239
C -0.511986 0.901930 -1.241529
C 0.403477 -1.961839 -1.213617
C 0.685506 0.439704 -0.471581
C 1.105729 -0.854784 -0.482736
C -2.321242 -0.715888 -0.630997
C 1.412006 1.486180 0.293622
C 2.941328 -0.227567 0.993738
C -4.658230 -0.310029 0.947679
C -4.654987 0.746820 2.026641
H -2.032850 0.141825 -2.592572
H 0.031260 -1.047600 -3.154872
H -1.200303 -2.224351 -2.655750
H -1.096522 1.621816 -0.621308
H -0.164159 1.502650 -2.112283
H 1.117166 -2.668953 -1.679545
H -0.190414 -2.554684 -0.470483
H 2.610590 -2.183202 0.196709
H -5.683558 -0.573923 0.625558
H -4.167104 -1.247887 1.288133
H 4.631961 0.107103 2.106722
H 4.073212 -1.473521 2.208291
H -3.636681 1.002075 2.355290
H -5.128604 1.683198 1.700781
H -5.200719 0.403307 2.916942


%chk=000228794-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228794

0 1
S -3.975050 0.331337 -0.733082
O -2.174119 -1.506817 0.224553
O 1.042459 2.737052 0.230720
N 2.196318 -1.172170 0.338205
N 2.493592 1.094014 1.070108
N 3.917575 -0.583863 1.862581
C -1.430022 -0.262548 -1.786766
C -0.571867 -1.460873 -2.273273
C -0.511999 0.916221 -1.336578
C 0.420264 -1.973336 -1.202694
C 0.671885 0.474154 -0.505596
C 1.090543 -0.835503 -0.465785
C -2.392447 -0.648704 -0.662186
C 1.395577 1.517324 0.273233
C 2.846574 -0.184348 1.082777
C -4.770017 -0.253498 0.887581
C -4.355340 0.615938 2.082400
H -2.048679 0.099784 -2.630272
H -0.007258 -1.119288 -3.161986
H -1.222902 -2.293345 -2.596907
H -1.081121 1.676181 -0.770654
H -0.148634 1.442992 -2.241521
H 1.185231 -2.614071 -1.687742
H -0.123886 -2.598291 -0.469370
H 2.501464 -2.146392 0.370824
H -5.855532 -0.224048 0.697881
H -4.444556 -1.299796 1.017475
H 4.376982 0.148914 2.398029
H 4.216143 -1.549713 1.963318
H -3.265052 0.567599 2.243775
H -4.637162 1.672566 1.933633
H -4.853466 0.252229 3.001618


