%chk=000130998.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130998

0 1
 S    3.744800       1.464900     -0.3935000    
 O    4.097500       1.275000      -1.794700    
 O    4.053800       2.732600      0.2542000    
 O   -2.555600     -0.9558000      -1.536000    
 O    5.141200      -3.326500      0.1951000    
 O    6.385300      -1.631600       1.063600    
 N    4.441900      0.2007000      0.5214000    
 N   -2.064400      0.4658000      0.2649000    
 C    2.034500       1.170600     -0.1998000    
 C  -0.6769000      0.7042000      0.1080000    
 C    1.361300      0.3486000      -1.103400    
 C    1.341600       1.757800      0.8589000    
 C  -4.8000002E-03  0.1136000     -0.9483000    
 C  -2.4499999E-02   1.522800       1.013800    
 C    4.167800      -1.198700      0.1644000    
 C   -2.910000     -0.3207000     -0.5298000    
 C   -4.308200     -0.3523000     -0.1304000    
 C   -5.097500      -1.460600     -0.4377000    
 C   -4.859300      0.7260000      0.5616000    
 C    5.358200      -2.029500      0.5346000    
 C   -6.437800      -1.490600     -5.2700002E-02
 C   -6.199700      0.6960000      0.9465000    
 C   -6.989000     -0.4123000      0.6394000    
 H    1.882300     -0.1209000      -1.933100    
 H    1.846500       2.395500       1.578900    
 H  -0.4528000     -0.5336000      -1.687100    
 H  -0.5544000       1.983800       1.842700    
 H    4.648400      0.3793000       1.512300    
 H    4.002800      -1.299000     -0.9118000    
 H    3.298200      -1.550300      0.7263000    
 H   -2.457300      0.9082000       1.091200    
 H   -4.686500      -2.313600     -0.9715000    
 H   -4.296700       1.626400      0.7894000    
 H   -7.052300      -2.353800     -0.2910000    
 H   -6.631900       1.539100       1.477600    
 H   -8.033100     -0.4349000      0.9375000    
 H    5.904900      -3.897500      0.4256000    


%chk=000130998-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130998

0 1
S 3.630578 0.834766 -0.168428
O 4.050364 0.521159 -1.718276
O 4.053157 2.202931 0.607614
O -3.000520 -1.151754 -1.398492
O 7.371477 -2.312622 -0.299893
O 7.072679 -0.670073 1.322810
N 4.278871 -0.629825 0.869863
N -2.409272 0.372197 0.287167
C 1.771829 0.656101 -0.041298
C -1.001752 0.431015 0.137978
C 1.099032 -0.137370 -0.983021
C 1.114962 1.351842 0.987079
C -0.302387 -0.255442 -0.895522
C -0.283417 1.234545 1.069714
C 5.127064 -1.539886 0.075880
C -3.338741 -0.353999 -0.472620
C -4.781009 -0.138328 -0.096128
C -5.702649 -1.153350 -0.461565
C -5.257379 1.027892 0.561387
C 6.600578 -1.428437 0.448565
C -7.070974 -1.020076 -0.151063
C -6.629270 1.162321 0.866804
C -7.537684 0.135964 0.518816
H 1.652884 -0.635705 -1.784859
H 1.679113 1.982306 1.680995
H -0.861087 -0.866923 -1.605199
H -0.821606 1.771929 1.860141
H 4.830100 -0.160521 1.622041
H 5.014126 -1.313513 -1.007375
H 4.799151 -2.585119 0.225647
H -2.788428 0.900808 1.075728
H -5.321739 -2.031247 -0.993178
H -4.583712 1.861563 0.797353
H -7.773326 -1.812105 -0.431642
H -6.990413 2.069587 1.362753
H -8.601526 0.241816 0.757557
H 8.329225 -2.233748 -0.040234


