%chk=000289321.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289321

0 1
S 1.664797 1.481563 -1.330179
O -3.809418 0.734188 0.679658
O 1.867330 0.635880 -2.488476
O 1.974771 2.897109 -1.378939
O -0.388372 -2.611664 0.326574
N 2.616791 0.826905 -0.076422
N -2.353168 -1.431701 0.174219
N 3.075104 -0.799090 3.311101
C 0.041928 1.305143 -0.755392
C -0.482888 0.018205 -0.574400
C -1.773736 -0.146951 -0.068217
C -0.720729 2.434332 -0.469008
C 3.181205 -0.531238 -0.170050
C -2.549937 1.023225 0.213453
C -2.030824 2.301595 0.008976
C 2.530515 -1.484602 0.857206
C -1.605858 -2.602840 0.396891
C -4.695008 1.843353 0.982111
C -2.436558 -3.814659 0.701221
C 2.835571 -1.106151 2.222274
H 0.117874 -0.869972 -0.824673
H 3.024743 1.412720 0.653218
H -0.300261 3.438191 -0.616663
H 4.283327 -0.502914 -0.006468
H 3.025793 -0.946215 -1.198001
H -2.617613 3.191174 0.220571
H 1.415253 -1.518369 0.715226
H 2.863694 -2.530839 0.663340
H -3.369390 -1.436850 0.294955
H -4.272295 2.455660 1.784633
H -5.598734 1.318903 1.320481
H -4.892501 2.427414 0.078254
H -3.004838 -3.712276 1.636082
H -1.781697 -4.695635 0.822657
H -3.145769 -4.055894 -0.102617


%chk=000289321-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289321

0 1
S 1.711559 1.514244 -1.241827
O -3.983805 0.727851 0.586544
O 1.973445 0.519257 -2.508741
O 2.044138 3.108330 -1.305153
O -0.537654 -2.773152 0.184987
N 2.643785 0.779193 0.211592
N -2.428396 -1.391596 0.322060
N 3.416692 -1.207616 3.366070
C -0.068059 1.326131 -0.685254
C -0.527540 0.022277 -0.451987
C -1.852640 -0.140962 -0.000268
C -0.841888 2.479772 -0.524886
C 3.432573 -0.432756 -0.101218
C -2.681506 1.018974 0.155740
C -2.183902 2.311363 -0.106862
C 2.974658 -1.635372 0.772061
C -1.776188 -2.623241 0.415224
C -4.914868 1.846235 0.779037
C -2.666695 -3.791249 0.820759
C 3.211902 -1.407071 2.207348
H 0.099555 -0.858411 -0.593351
H 3.166732 1.567891 0.627556
H -0.415578 3.468514 -0.718016
H 4.513312 -0.246502 0.039909
H 3.277607 -0.693936 -1.168364
H -2.820572 3.190953 0.018989
H 1.899465 -1.839026 0.612108
H 3.528935 -2.541519 0.458352
H -3.421448 -1.346388 0.568445
H -4.542755 2.537509 1.557908
H -5.856694 1.384627 1.107925
H -5.074299 2.392710 -0.169115
H -2.259913 -4.249900 1.738384
H -2.632381 -4.560351 0.029951
H -3.718475 -3.509084 0.997689


