%chk=000299106.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299106

0 1
S -2.588900 -2.048420 -1.578651
O 2.118168 0.250668 1.415700
O 3.351527 2.112790 -0.782604
O 2.282793 -1.168395 -1.708942
O 5.077596 -1.652373 0.542261
N 0.143975 1.020881 0.401875
N -0.362142 -0.022495 -0.293243
N -0.760855 1.824891 1.019231
N -3.268087 1.662377 1.046314
N -4.083605 -0.257590 -0.246005
C 2.948700 -0.318252 -0.797896
C 2.337351 1.111637 -0.820687
C 2.799227 -0.805943 0.662688
C 1.628441 1.260071 0.552400
C 4.148377 -0.969256 1.383244
C -1.713132 0.086101 -0.138071
C -1.978767 1.275456 0.707094
C -2.861818 -0.645966 -0.584831
C -4.236488 0.889266 0.562108
C -4.233870 -2.682963 -1.931015
H 4.010911 -0.343135 -1.146619
H 1.677155 1.268390 -1.700819
H 2.149411 -1.702010 0.740013
H 1.793739 2.238231 1.075880
H 4.035324 -1.495601 2.346588
H 4.632586 0.014783 1.558376
H 3.790473 2.187992 -1.660804
H 1.313803 -1.243252 -1.503660
H 4.803954 -2.584724 0.405114
H -5.284038 1.144997 0.799138
H -4.773588 -2.959384 -1.013566
H -4.128147 -3.575178 -2.562135
H -4.854872 -1.945792 -2.460478


%chk=000299106-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299106

0 1
S -2.675290 -2.121313 -1.736702
O 2.072409 0.056746 1.465039
O 3.469764 1.971727 -0.538586
O 1.878091 -1.290086 -1.526893
O 5.370567 -1.511638 0.523395
N 0.103473 0.926451 0.402539
N -0.402167 -0.121523 -0.338899
N -0.797751 1.741344 1.032821
N -3.264866 1.621267 1.015027
N -4.127649 -0.254576 -0.327705
C 2.823502 -0.455228 -0.802605
C 2.357896 1.033205 -0.726714
C 2.984869 -0.851137 0.684583
C 1.568632 1.109305 0.603305
C 4.410979 -0.657886 1.238678
C -1.757140 0.035166 -0.181835
C -2.010294 1.182337 0.660883
C -2.895740 -0.681587 -0.675285
C -4.250416 0.862074 0.491258
C -4.474513 -2.589136 -2.032653
H 3.781687 -0.561788 -1.337371
H 1.743304 1.297095 -1.608417
H 2.625267 -1.884640 0.842402
H 1.677001 2.087206 1.096529
H 4.415932 -0.853628 2.329101
H 4.746225 0.374812 1.057917
H 4.070493 1.925773 -1.324387
H 0.949969 -1.102500 -1.184914
H 5.189078 -2.462256 0.734597
H -5.277571 1.150379 0.731517
H -4.956202 -2.818756 -1.072651
H -4.439498 -3.475024 -2.684564
H -4.994840 -1.754381 -2.521412


