%chk=000097661.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097661

0 1
 S    3.923400      0.8923000      5.9400000E-02
 S   -3.250800     -0.4125000     -0.9675000    
 S   -4.806200      0.4013000      0.1753000    
 O    4.031200       2.242500      0.5771000    
 O    5.054800      0.2514000     -0.5827000    
 O   -6.088700      0.3904000     -0.8307000    
 O   -5.079800     -0.5245000       1.257500    
 O   -4.465600       1.784200      0.4488000    
 N   0.5060000     -0.9071000      0.4756000    
 C    1.728800      -1.412400     -0.1517000    
 C    2.120300     -0.5785000      -1.383500    
 C    2.872500      -1.502600      0.8720000    
 C    2.545400      0.8491000      -1.066500    
 C    3.367200     -0.1565000       1.385400    
 C  -0.6028000     -0.9405000     -0.4635000    
 C   -1.855800     -0.3766000      0.1950000    
 H    1.537900      -2.439600     -0.4923000    
 H    1.355700     -0.5782000      -2.164900    
 H    2.974800      -1.085100      -1.855000    
 H    3.711700      -2.037800      0.4087000    
 H    2.557400      -2.114800       1.726600    
 H    2.862500       1.367700      -1.976700    
 H    1.728700       1.419700     -0.6138000    
 H    2.578300      0.3812000       1.920500    
 H    4.213300     -0.2900000       2.066600    
 H   0.2816000      -1.469700       1.295900    
 H  -0.7842000      -1.968700     -0.8006000    
 H  -0.4131000     -0.3155000      -1.339900    
 H   -1.691900      0.6587000      0.5133000    
 H   -2.125100     -0.9649000       1.078800    
 H   -5.970500      0.8932000      -1.670600    


%chk=000097661-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000097661

0 1
S 3.288860 1.333443 0.561195
S -3.633738 -1.038654 0.622335
S -3.449371 0.800785 -1.022711
O 3.424935 2.378400 1.811174
O 4.316982 1.373461 -0.719251
O -4.553299 0.148855 -2.347367
O -4.173821 2.154880 -0.569988
O -1.913839 0.820492 -1.558562
N 0.527748 -1.477762 0.569377
C 1.528230 -1.220816 -0.497269
C 1.337545 0.192735 -1.128668
C 2.958092 -1.421706 0.075918
C 1.487412 1.351534 -0.141199
C 3.322742 -0.482356 1.233095
C -0.872559 -1.709837 0.176630
C -1.820656 -0.975610 1.150017
H 1.414307 -1.954059 -1.330288
H 0.326979 0.277014 -1.573706
H 2.066232 0.313198 -1.952888
H 3.691853 -1.277391 -0.738925
H 3.072214 -2.468624 0.425090
H 1.384624 2.344111 -0.605984
H 0.854620 1.257096 0.754599
H 2.607405 -0.468677 2.069838
H 4.354960 -0.612130 1.594163
H 0.863162 -2.116340 1.299231
H -1.144964 -2.787596 0.141394
H -1.022304 -1.300514 -0.835375
H -1.520867 0.079441 1.276651
H -1.823489 -1.442509 2.153209
H -4.082998 -0.614663 -2.795138


