%chk=000060778.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060778

0 1
 S   -4.041300      -2.410900      -1.258700    
 O   -1.002700      0.4091000      -1.209500    
 O    2.025400       1.207200       1.383400    
 O   -2.863300     -0.9825000       1.572700    
 O    2.420000      -1.870700     -0.4442000    
 O    4.378600      -2.546500      0.4805000    
 N  -8.3800003E-02   2.232000     -9.8399997E-02
 N   -3.371900      0.6798000      2.7500000E-02
 N    3.088100      0.6497000     -0.6070000    
 C    1.235400       2.172100     -0.6858000    
 C   -2.347900       1.611700      0.3970000    
 C   -1.098100       1.338900     -0.4123000    
 C    2.128400       1.291700      0.1622000    
 C    4.103500     -0.2145000     -4.9100000E-02
 C   -3.551300     -0.5533000      0.6480000    
 C   -4.687600      -1.358700      6.3199997E-02
 C    3.668800      -1.655200      3.0500000E-02
 H    1.649700       3.184300     -0.7048000    
 H    1.157300       1.791300      -1.708900    
 H   -2.711600       2.621200      0.1835000    
 H   -2.120900       1.517700       1.463700    
 H  -0.2581000       2.953600      0.5955000    
 H   -3.977400      0.9307000     -0.7487000    
 H    3.089700      0.7814000      -1.614200    
 H    4.353800      0.1299000      0.9587000    
 H    4.979400     -0.1486000     -0.7005000    
 H   -5.467500     -0.7024000     -0.3342000    
 H   -5.130500      -1.977100      0.8494000    
 H   -5.206800      -2.996200      -1.571000    
 H    2.161000      -2.814900     -0.3818000    


%chk=000060778-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060778

0 1
S -4.797902 -1.712021 -1.445371
O -0.369352 0.841617 -1.713829
O 3.363201 2.196599 0.670477
O -1.665303 -1.464449 1.181230
O 0.781857 -0.616731 1.067557
O 1.883403 -2.660495 0.845987
N 0.194065 2.540774 -0.224398
N -2.650416 0.122592 -0.224035
N 2.440530 0.544624 -0.713848
C 1.511567 2.804035 -0.844863
C -1.851796 1.254621 0.230651
C -0.613748 1.514150 -0.665117
C 2.555932 1.836196 -0.237076
C 2.965557 -0.596772 0.037657
C -2.487518 -1.146072 0.254036
C -3.331376 -2.256516 -0.375264
C 1.839342 -1.419175 0.691157
H 1.818194 3.838256 -0.627900
H 1.411559 2.664053 -1.934332
H -2.484789 2.160772 0.260301
H -1.503680 1.041104 1.258130
H 0.033481 2.935766 0.705496
H -3.294353 0.236017 -1.016685
H 1.682309 0.365940 -1.386218
H 3.635713 -0.197426 0.821793
H 3.549652 -1.281525 -0.599728
H -3.675353 -2.930308 0.423197
H -2.686031 -2.840823 -1.052838
H -5.646539 -1.398584 -0.394851
H -0.089808 -1.105419 1.295382


