%chk=000032945.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032945

0 1
 S   -3.855800       2.296700     -0.1942000    
 O    5.617300      -1.099900      0.2233000    
 O   0.7436000       3.056100      0.9347000    
 O   -4.093400     -0.4640000      -1.192200    
 N   0.4731000      0.9506000     -7.5599998E-02
 N   -2.333600      0.1725000      0.2308000    
 N   -3.255300       3.845400     -0.2552000    
 C   -1.370000       2.497200      0.1486000    
 C   -2.352000       1.564100      9.4999999E-02
 C   -1.940400       3.785800     -5.8100000E-02
 C   1.9500000E-02   2.203200      0.3795000    
 C    1.770300      0.4340000      3.0000001E-04
 C    1.964200     -0.9418000      0.1044000    
 C    2.864200       1.296200     -2.9999999E-02
 C    4.355100     -0.5967000      0.1487000    
 C   -1.190000       5.060700     -7.1000002E-02
 C    3.258100      -1.457900      0.1787000    
 C    4.158000      0.7803000      4.4199999E-02
 C   -3.180100     -0.7484000     -0.4006000    
 C   -2.921000      -2.147700     -0.1023000    
 C   -3.263600      -3.133300      -1.028100    
 C   -2.329400      -2.504700       1.109600    
 C    6.649000     -0.3660000     -0.4348000    
 C   -3.014900      -4.475800     -0.7421000    
 C   -2.080600      -3.847200       1.395400    
 C   -2.423400      -4.832600      0.4696000    
 C    7.731300      -1.326900     -0.8787000    
 H  -0.2153000      0.2886000     -0.4188000    
 H   -1.517000     -0.1843000      0.7172000    
 H    1.117300      -1.622900      0.1298000    
 H    2.754600       2.370100     -0.1417000    
 H   -1.811200       5.894800     -0.4161000    
 H  -0.8341000       5.307500      0.9346000    
 H  -0.3269000       4.999300     -0.7420000    
 H    3.405200      -2.531300      0.2603000    
 H    4.983200       1.486200      3.7799999E-02
 H   -3.720500      -2.877700      -1.980700    
 H   -2.076700      -1.775200       1.873600    
 H    7.068300      0.3687000      0.2614000    
 H    6.277400      0.1466000      -1.330900    
 H   -3.280800      -5.243200      -1.463200    
 H   -1.626800      -4.126400       2.341900    
 H   -2.231100      -5.877900      0.6929000    
 H    7.323800      -2.076600      -1.565100    
 H    8.139800      -1.870600     -2.0500001E-02
 H    8.545700     -0.7956000      -1.379300    


%chk=000032945-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000032945

0 1
S -4.183818 2.232303 -0.311562
O 5.512234 -1.199500 -0.628869
O 0.587382 3.071144 0.924787
O -4.464632 -0.509931 -0.174234
N 0.425455 1.293443 -0.613946
N -2.270885 0.192218 0.072196
N -3.521937 3.932338 -0.352238
C -1.567237 2.577444 -0.090271
C -2.525446 1.553122 -0.109644
C -2.183537 3.891449 -0.205461
C -0.104048 2.365352 0.128994
C 1.740561 0.734211 -0.564033
C 2.031390 -0.330512 -1.463254
C 2.742000 1.170342 0.339016
C 4.291034 -0.515436 -0.550877
C -1.422245 5.193693 -0.201056
C 3.291570 -0.948085 -1.459618
C 4.008201 0.544873 0.345501
C -3.248935 -0.812958 0.033324
C -2.779005 -2.219302 0.248059
C -3.781008 -3.211224 0.414162
C -1.410305 -2.603963 0.276591
C 6.599094 -0.774220 0.277878
C -3.425091 -4.559362 0.615741
C -1.056496 -3.954987 0.477265
C -2.061398 -4.935362 0.649984
C 7.800614 -1.664826 -0.024985
H -0.156935 0.973381 -1.394278
H -1.307638 -0.055694 0.318095
H 1.269906 -0.671603 -2.177494
H 2.527936 1.998314 1.016929
H -2.128739 6.034769 -0.275746
H -0.824695 5.284471 0.721721
H -0.717160 5.241562 -1.051415
H 3.525633 -1.762556 -2.151358
H 4.762790 0.902544 1.051695
H -4.829045 -2.896807 0.378800
H -0.599378 -1.879513 0.127217
H 6.267035 -0.889166 1.330328
H 6.832365 0.294822 0.094799
H -4.206324 -5.315530 0.746068
H 0.000205 -4.241657 0.494908
H -1.782840 -5.983117 0.806393
H 8.115561 -1.549878 -1.076020
H 7.553402 -2.725790 0.149630
H 8.649509 -1.390812 0.627381


