%chk=000066620.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066620

0 1
 S    2.250500     -0.4556000     -8.2699999E-02
 O    2.807000     -3.8400002E-02   1.395500    
 O    2.396400      -1.897300     -0.2032000    
 O    2.846100      0.4384000      -1.061400    
 N   0.9749000       2.312400     -1.5400000E-02
 N   -3.587500      0.6998000      4.9800001E-02
 C   0.5380000     -9.2100002E-02 -4.3299999E-02
 C   -1.740700     -0.8942000     -1.0400000E-02
 C   7.5300001E-02   1.223400     -1.4100000E-02
 C  -0.3700000      -1.150900     -4.1400000E-02
 C   -2.203400      0.4214000      1.8800000E-02
 C   -1.295400       1.480200      1.7100001E-02
 C   -2.691100      -2.047200     -9.3999999E-03
 H  -2.6500000E-02  -2.181300     -6.1500002E-02
 H   -1.656700       2.506300      3.9900001E-02
 H   -2.166700      -3.008700     -3.4699999E-02
 H   -3.305000      -2.038000      0.8973000    
 H   -3.340500      -2.010400     -0.8904000    
 H    1.974000       2.163500     -2.1299999E-02
 H   0.6156000       3.257800      8.5000005E-03
 H   -3.904200       1.660300      7.1500003E-02
 H   -4.268900     -4.6200000E-02  5.2800000E-02
 H    2.414700     -0.5360000       2.151100    


%chk=000066620-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000066620

0 1
S 2.251043 -0.482464 -0.004215
O 2.489902 -0.528250 1.856325
O 2.514667 -1.982645 -0.552173
O 3.175635 0.745242 -0.562724
N 0.936705 2.388692 -0.148770
N -3.637650 0.720880 0.012492
C 0.482524 -0.040597 -0.058084
C -1.811181 -0.903416 0.013946
C 0.055738 1.327838 -0.085598
C -0.430493 -1.119280 -0.000316
C -2.271916 0.464359 -0.009198
C -1.350807 1.537114 -0.066041
C -2.797426 -2.053739 0.058973
H -0.033090 -2.140207 0.015086
H -1.723754 2.568403 -0.099556
H -2.270158 -3.021485 0.074466
H -3.437010 -2.017425 0.964472
H -3.467516 -2.062378 -0.824775
H 1.940364 2.207280 -0.273131
H 0.584556 3.341567 -0.160276
H -3.989469 1.673891 -0.001392
H -4.310519 -0.038542 0.047023
H 3.435757 -0.817640 2.016566


