%chk=000097408.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097408

0 1
 S   6.3999998E-03 -1.6400000E-02 -0.5610000    
 O   -1.225400      0.8975000      -1.084700    
 O    1.224100      0.9058000      -1.084900    
 O   1.3600000E-02  5.4699998E-02  0.9378000    
 O   -6.757200      -1.697200      0.3496000    
 O    6.751600      -1.699600      0.3464000    
 O   -6.994400      0.2663000       1.302200    
 O    6.989800      0.2604000       1.306200    
 N   -6.319700     -0.5570000      0.6378000    
 N    6.315000     -0.5598000      0.6380000    
 C   -2.470000      0.5423000     -0.6638000    
 C    2.480000      0.5445000     -0.6597000    
 C   -5.020800     -0.1872000      0.1989000    
 C    5.017600     -0.1868000      0.1980000    
 C   -2.976100     -0.7207000     -0.9718000    
 C    2.973800     -0.7137000     -0.9776000    
 C   -3.239500       1.440400      7.5900003E-02
 C    3.237100       1.442300      8.0700003E-02
 C   -4.251400      -1.085300     -0.5405000    
 C    4.248500      -1.081000     -0.5465000    
 C   -4.514900       1.075600      0.5072000    
 C    4.511900       1.074900      0.5116000    
 H   -2.398000      -1.428600      -1.560000    
 H    2.395400      -1.416600      -1.570500    
 H   -2.850000       2.425200      0.3193000    
 H    2.845700       2.425200      0.3267000    
 H   -4.614600      -2.075900     -0.8020000    
 H    4.611400      -2.070500     -0.8123000    
 H   -5.085500       1.801100       1.081300    
 H    5.082200       1.797400       1.089900    


%chk=000097408-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097408

0 1
S 0.040419 -2.089557 -2.445221
O -1.716712 -1.295370 -2.666832
O 1.014303 -0.348746 -2.356695
O 0.151422 -2.677841 -0.956390
O -4.526151 0.736659 2.686772
O 5.756133 0.688029 1.754524
O -4.079499 2.727988 1.664785
O 3.986914 0.670248 3.196478
N -4.046624 1.438656 1.715723
N 4.496423 0.571900 2.014634
C -2.246048 -0.638831 -1.552493
C 1.847647 -0.181129 -1.255316
C -3.414040 0.715504 0.581862
C 3.575936 0.307667 0.880279
C -2.781458 -1.381164 -0.464313
C 3.247679 -0.066190 -1.492507
C -2.274044 0.782683 -1.558210
C 1.322303 -0.071021 0.063752
C -3.373248 -0.696700 0.613341
C 4.117036 0.197359 -0.423082
C -2.876271 1.467521 -0.489103
C 2.194084 0.174586 1.139637
H -2.744488 -2.473587 -0.484957
H 3.618036 -0.163168 -2.517248
H -1.834960 1.314796 -2.406417
H 0.245792 -0.162150 0.228705
H -3.803349 -1.228104 1.466040
H 5.194275 0.310275 -0.568673
H -2.933579 2.558589 -0.462178
H 1.828671 0.268398 2.165305


