%chk=000062986.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062986

0 1
 S   0.5146000      0.4311000     -0.5986000    
 O    3.765400      0.6308000      0.5145000    
 O   0.8220000     -0.8930000      2.9600000E-02
 O   -7.140700     -0.6053000      -1.102400    
 O   -6.506800      -2.546600     -0.2777000    
 N    5.987100      -1.646400      0.1392000    
 N   -3.399600      0.6885000      0.3935000    
 N   -5.753800      0.7953000      0.9194000    
 N   -6.290100      -1.381400     -0.6423000    
 C    1.596700       1.664000      0.1626000    
 C    3.018300       1.456200     -0.2644000    
 C   -1.015100       1.046300      0.1666000    
 C    5.003100      0.5836000     -4.4700000E-02
 C    5.993200     -0.2608000      0.6383000    
 C   -2.198400      0.1798000     -0.2265000    
 C    3.765300       1.936500      -1.314800    
 C    5.054300       1.369900      -1.172100    
 C    4.889300      -2.392100      0.7451000    
 C    7.267600      -2.286100      0.4211000    
 C   -4.691600      0.1791000      0.2481000    
 C   -4.961400     -0.8968000     -0.5229000    
 C   -5.719400       1.947200       1.788400    
 H    1.261300       2.659500     -0.1453000    
 H    1.514300       1.590900       1.251800    
 H   -1.168600       2.079700     -0.1629000    
 H  -0.8837000       1.049500       1.254200    
 H    5.858300     -0.2237000       1.727300    
 H    6.976000      0.1926000      0.4470000    
 H   -2.312700      0.1787000      -1.317300    
 H   -2.028700     -0.8560000      9.1100000E-02
 H    3.425300       2.610500      -2.087900    
 H    5.911800       1.517600      -1.812800    
 H   -3.319500       1.496800       1.002100    
 H    4.886700      -3.426700      0.3824000    
 H    4.955000      -2.419900       1.839100    
 H    3.916100      -1.975500      0.4662000    
 H    7.489200      -2.315400       1.494300    
 H    7.277200      -3.313800      4.0800001E-02
 H    8.084700      -1.761300     -8.6700000E-02
 H   -6.674400      0.3877000      0.7911000    
 H   -4.254100      -1.512800      -1.059600    
 H   -5.081900       1.758300       2.657400    
 H   -6.727500       2.172300       2.149200    
 H   -5.346000       2.825500       1.253200    


%chk=000062986-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000062986

0 1
S 0.362092 3.552985 -2.213704
O 2.644300 1.576748 0.026744
O 0.168873 2.179824 -3.150096
O -2.139813 -3.071406 0.405451
O -1.924271 -3.041204 -1.881018
N 2.722888 -1.942484 1.248343
N -1.796156 1.153804 0.395699
N -2.164601 -0.806671 1.651663
N -1.992904 -2.401463 -0.751840
C 2.383303 3.392023 -1.619093
C 2.688524 2.006958 -1.336373
C -0.436634 3.023538 -0.482320
C 2.877798 0.184621 0.017948
C 2.970998 -0.491706 1.357840
C -1.497673 1.962323 -0.795215
C 2.896351 0.892887 -2.149496
C 3.031856 -0.255010 -1.289405
C 1.301929 -2.269641 1.003933
C 3.288854 -2.702655 2.379923
C -1.958109 -0.220090 0.430617
C -1.907379 -1.003640 -0.753191
C -2.152523 -0.106297 2.931197
H 2.845272 3.779703 -2.536904
H 2.462980 4.089075 -0.772886
H -0.818475 3.963487 -0.051583
H 0.384629 2.604196 0.121611
H 2.273692 0.022840 2.071598
H 3.992085 -0.346816 1.765489
H -2.416973 2.429031 -1.200534
H -1.078128 1.325762 -1.599733
H 2.932089 0.909498 -3.236177
H 3.213137 -1.287388 -1.577363
H -1.998770 1.664698 1.255508
H 1.189261 -3.352206 0.826903
H 0.638582 -1.989936 1.861394
H 0.940235 -1.743166 0.105288
H 2.811005 -2.463019 3.364149
H 3.152778 -3.782547 2.195275
H 4.372456 -2.504855 2.464870
H -2.246578 -1.850532 1.560564
H -1.801268 -0.569104 -1.742678
H -1.201906 0.440781 3.102181
H -2.260184 -0.848860 3.737093
H -2.994826 0.610212 3.033028


