%chk=000180273.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180273

0 1
S 4.155863 -0.720497 -0.228565
P 2.396261 -0.347992 0.336379
O 1.221081 -0.717175 -0.793525
O 2.043866 1.230032 0.726997
N 1.693779 -1.157710 1.730068
C 0.086910 -1.376970 -0.177276
C 0.527486 -1.925831 1.212333
C -1.099746 -0.446298 -0.073921
C -2.369098 -1.020265 0.114310
C -0.972838 0.943358 -0.163225
C -3.496431 -0.204692 0.220828
C -2.107037 1.756954 -0.057285
C -3.367236 1.187004 0.136164
C 2.915250 2.254499 0.196270
H -0.125492 -2.203966 -0.900316
H -0.317672 -1.922404 1.932922
H 0.845586 -2.994004 1.117470
H 1.427116 -0.530859 2.516357
H -2.479797 -2.101460 0.172737
H 0.007277 1.401312 -0.321640
H -4.478722 -0.651387 0.366630
H -2.002419 2.838766 -0.128191
H -4.248054 1.821437 0.217925
H 2.486091 3.169205 0.631019
H 2.858454 2.291136 -0.898499
H 3.950321 2.123407 0.539633


%chk=000180273-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180273

0 1
S 4.349532 -0.819457 -0.238502
P 2.439086 -0.312426 0.352187
O 1.163688 -0.913534 -0.700964
O 2.214288 1.403852 0.587636
N 1.645858 -0.903752 1.760709
C -0.005152 -1.463976 0.068708
C 0.527783 -1.824038 1.501379
C -1.194777 -0.518767 0.046535
C -2.442723 -1.000068 -0.421630
C -1.097439 0.821440 0.504021
C -3.584615 -0.166838 -0.418878
C -2.238058 1.652876 0.504869
C -3.484964 1.162993 0.047937
C 3.020659 2.358816 -0.203209
H -0.261379 -2.393517 -0.467454
H -0.269735 -1.675014 2.249210
H 0.852550 -2.883944 1.526222
H 2.010612 -0.762690 2.699163
H -2.522117 -2.029320 -0.794638
H -0.131830 1.215759 0.839011
H -4.543041 -0.551127 -0.785390
H -2.154250 2.687161 0.857405
H -4.366476 1.813996 0.048149
H 3.005538 3.294387 0.376487
H 2.560227 2.510803 -1.194616
H 4.057535 1.991984 -0.318750


