%chk=000066544.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066544

0 1
 S  -8.9900002E-02   2.873400      7.6800004E-02
 O   -3.947700     -0.5323000      9.4999997E-03
 O   0.5646000       3.090200      -1.401500    
 O   -1.215100       3.783000      0.1898000    
 O   0.9789000       2.873200       1.057500    
 O    4.421000      -1.843500     -1.6500000E-02
 O    4.219900      0.3420000      2.5900001E-02
 N   -2.738100      -2.375600     -2.6300000E-02
 N    3.715600     -0.8063000      4.0000002E-03
 N   -3.992700      -1.930600     -1.7800000E-02
 C   9.7199999E-02  9.9299997E-02  2.2600001E-02
 C  -0.4772000      -1.199200     -2.7999999E-03
 C  -0.7357000       1.236000      4.5000002E-02
 C   -1.885900      -1.305400     -4.9999999E-03
 C   -2.642000     -0.1561000      1.7300000E-02
 C   -2.132900       1.133700      4.2700000E-02
 C    1.496400      0.2066000      2.4499999E-02
 C   0.3379000      -2.345600     -2.5300000E-02
 C    2.300900     -0.9364000      2.0000001E-03
 C    1.724500      -2.206300     -2.2600001E-02
 H   -2.803300       1.983100      5.6100000E-02
 H    1.991700       1.167700     -1.4300000E-02
 H  -9.6799999E-02  -3.341700     -4.4700000E-02
 H    2.325700      -3.112000     -4.0399998E-02
 H  -6.6200003E-02   3.031500      -2.157100    


%chk=000066544-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000066544

0 1
S -0.202610 2.961509 0.047293
O -4.106990 -0.524275 0.062112
O 0.460720 2.881677 -1.676715
O -1.468116 3.959743 0.116657
O 1.037609 3.151334 1.069204
O 4.460327 -1.891180 -0.049146
O 4.244552 0.380054 -0.118016
N -2.750437 -2.485079 0.051961
N 3.754133 -0.810617 -0.066705
N -3.984683 -2.320938 0.062929
C 0.070140 0.063839 0.015329
C -0.509496 -1.268897 0.024707
C -0.850577 1.175374 0.025716
C -1.933677 -1.349950 0.040256
C -2.804379 -0.213538 0.047881
C -2.231842 1.097626 0.035804
C 1.489767 0.197246 -0.010455
C 0.337823 -2.416790 0.010170
C 2.274205 -0.957697 -0.028892
C 1.723382 -2.270295 -0.015505
H -2.857562 1.994679 0.039147
H 1.977560 1.174973 -0.008857
H -0.118194 -3.411053 0.017799
H 2.398108 -3.129535 -0.027182
H 0.941035 3.740492 -1.866094


