%chk=000176400.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176400

0 1
 S    2.496100      0.5941000     -3.9900001E-02
 O    2.802500       1.911200      0.8726000    
 O    3.054200     -0.5531000      0.6542000    
 O    2.865800      0.8975000      -1.410300    
 O    1.312700      -2.548600      -1.114000    
 O    1.332800      -2.540000       1.081100    
 O   -4.154300       1.005900      1.8600000E-02
 O   -3.931800      -1.178000      2.5300000E-02
 N   0.9813000      -2.044800     -1.5200000E-02
 N   -3.438300     -2.4400000E-02  1.6600000E-02
 C   0.7495000      0.4029000     -2.3000000E-02
 C  -6.7000002E-02   1.533800     -2.0099999E-02
 C   0.1785000     -0.8698000     -1.2600000E-02
 C   -1.454500       1.392100     -6.8000001E-03
 C   -2.025600      0.1195000      3.5999999E-03
 C   -1.209200      -1.011500      6.9999998E-04
 C   0.5074000       2.913200     -3.0900000E-02
 H   -2.075400       2.285000     -1.9000000E-03
 H   -1.634700      -2.013200      8.6000003E-03
 H   0.8380000       3.212200      0.9677000    
 H    1.299300       3.033500     -0.7751000    
 H  -0.2591000       3.642000     -0.3249000    
 H    3.242600       2.658500      0.4031000    


%chk=000176400-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176400

0 1
S 2.628492 0.673717 -0.120215
O 2.581907 1.983408 1.213841
O 3.409041 -0.560036 0.565710
O 3.124218 1.338117 -1.498507
O 1.841852 -2.085869 -1.119229
O 0.702562 -3.086675 0.597734
O -4.218089 1.023806 0.268280
O -3.945738 -1.231136 0.503095
N 0.979681 -2.091791 -0.164260
N -3.494548 -0.040460 0.314610
C 0.715741 0.445965 -0.139207
C -0.097365 1.603234 -0.225674
C 0.168798 -0.846843 0.001384
C -1.497054 1.403195 -0.089116
C -2.020327 0.119084 0.139283
C -1.211739 -1.029710 0.179354
C 0.425945 3.003890 -0.465548
H -2.181960 2.253604 -0.149050
H -1.638671 -2.026454 0.317389
H 0.869129 3.414311 0.457475
H 1.218998 3.013567 -1.232661
H -0.392804 3.663520 -0.793330
H 3.442733 1.877557 1.716043


