%chk=000093870.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093870

0 1
 S   -1.434500       1.936100       1.019200    
 O   -3.089100      -2.788900      0.6349000    
 O   0.8223000     -0.8698000      3.5999998E-02
 O   -3.566700      -1.762100      -1.363100    
 O   0.9150000      0.7612000      -1.627200    
 O   -3.144500       6.225700      0.4662000    
 O    6.976800      0.1169000       1.021700    
 O    7.082700      -1.452400     -0.5096000    
 N   -1.749400      -1.127500     -6.7599997E-02
 N   -1.601100       4.505000      0.2151000    
 N    6.422500     -0.6875000      0.2344000    
 C   -4.225000      -3.643400      0.4606000    
 C   -1.242300     -7.8199998E-02 -0.9172000    
 C   -5.480200      -2.775100      0.3881000    
 C   -4.287300      -4.577700       1.666900    
 C   -4.039400      -4.441800     -0.8289000    
 C   -1.888600       1.274200     -0.6029000    
 C   -2.868200      -1.880600     -0.3618000    
 C   0.2807000      4.9999999E-03 -0.8980000    
 C   -2.335000       3.503800      0.9558000    
 C    2.217600     -0.8250000      8.5699998E-02
 C    2.856400      6.1299998E-02  0.9532000    
 C    2.972100      -1.665700     -0.7325000    
 C    4.249500      0.1067000       1.002200    
 C    4.365300      -1.620200     -0.6834000    
 C    5.004000     -0.7340000      0.1840000    
 C   -2.079500       5.791400      3.5700001E-02
 C   -1.134200       6.642600     -0.7676000    
 H   -1.507700     -0.3541000      -1.946100    
 H   -5.473100      -2.010100       1.173300    
 H   -5.620900      -2.256700     -0.5636000    
 H   -6.378300      -3.389000      0.5258000    
 H   -4.371100      -4.005000       2.597700    
 H   -3.367400      -5.168000       1.748700    
 H   -5.136400      -5.266300       1.606500    
 H   -4.239300      -3.880200      -1.744900    
 H   -3.018300      -4.833000     -0.9051000    
 H   -4.727700      -5.295300     -0.8520000    
 H   -1.581800       2.002600      -1.361800    
 H   -2.979500       1.182700     -0.6477000    
 H   -1.266000      -1.317900      0.8052000    
 H   -3.328900       3.379200      0.5142000    
 H   -2.467200       3.877700       1.976100    
 H  -0.7030000       4.241900     -0.1791000    
 H    2.273300      0.7182000       1.592900    
 H    2.479500      -2.358100      -1.409700    
 H    4.712600      0.8096000       1.689900    
 H    4.920500      -2.289800      -1.335200    
 H  -0.9639000       6.186600      -1.747000    
 H   -1.563600       7.638100     -0.9100000    
 H  -0.1819000       6.738100     -0.2386000    


%chk=000093870-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093870

0 1
S -2.002037 1.866463 1.529383
O -3.171223 -2.901777 0.429447
O 0.451312 -0.262480 -0.076408
O -4.057354 -1.428156 -1.217069
O 0.143999 1.541533 -1.548969
O -2.109198 4.761503 -1.300380
O 6.491342 -0.094237 1.934284
O 6.822069 0.341210 -0.281367
N -2.047016 -1.013843 -0.103002
N -0.660644 4.118783 0.406748
N 6.060509 0.094037 0.731538
C -4.324085 -3.900000 0.360290
C -1.811526 0.239234 -0.815851
C -5.630911 -3.197344 0.777917
C -3.889472 -4.951479 1.395176
C -4.398279 -4.496388 -1.059254
C -2.601252 1.440907 -0.223450
C -3.180347 -1.759736 -0.371192
C -0.328288 0.597356 -0.893460
C -1.718224 3.753532 1.322608
C 1.857706 -0.104595 0.064153
C 2.357411 -0.301153 1.370938
C 2.712721 0.152947 -1.032634
C 3.744306 -0.239215 1.595257
C 4.100939 0.218057 -0.807998
C 4.597036 0.023317 0.499747
C -0.923881 4.596626 -0.882835
C 0.307433 4.871669 -1.732271
H -2.178269 0.116986 -1.855983
H -5.517034 -2.728738 1.771511
H -5.915300 -2.425499 0.045633
H -6.444675 -3.942828 0.839791
H -3.784166 -4.493884 2.393905
H -2.921388 -5.399061 1.111501
H -4.645240 -5.754884 1.453875
H -4.685190 -3.728927 -1.795125
H -3.423381 -4.927489 -1.348475
H -5.151624 -5.305152 -1.078075
H -2.481068 2.338330 -0.850484
H -3.665762 1.165768 -0.174958
H -1.375081 -1.340985 0.590745
H -2.656136 4.197511 0.958773
H -1.502883 4.085755 2.350843
H 0.306355 3.915759 0.665950
H 1.657361 -0.500580 2.186658
H 2.305895 0.300077 -2.034480
H 4.172882 -0.386386 2.589581
H 4.801007 0.412323 -1.624436
H 0.564076 3.950031 -2.285133
H 0.072672 5.661983 -2.461172
H 1.183704 5.174321 -1.132388


