%chk=000066879.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066879

0 1
 S   -4.275500       1.180400     -0.1165000    
 O   -4.802800       1.420800       1.412400    
 O   -3.576300       2.392100     -0.5196000    
 O   -5.388200      0.6702000     -0.9026000    
 N   0.5284000     -0.5363000      0.5329000    
 N    1.119500     -0.3877000     -0.5624000    
 N    6.515400      0.8102000      0.3263000    
 C   -3.101800     -0.1065000     -9.9999997E-05
 C   -1.757300      0.1929000      0.2197000    
 C  -0.8263000     -0.8372000      0.3109000    
 C   -3.508700      -1.434500     -0.1275000    
 C   -1.226800      -2.163900      0.1846000    
 C   -2.571200      -2.463300     -3.5100002E-02
 C    2.467500     -8.8000000E-02 -0.3418000    
 C    5.156400      0.5090000      0.1009000    
 C    3.404100      -1.117400     -0.2490000    
 C    2.875200       1.239800     -0.2133000    
 C    4.748700     -0.8188000     -2.7600000E-02
 C    4.219600       1.538200      7.8999996E-03
 H   -1.427100       1.222700      0.3287000    
 H   -4.551100      -1.692800     -0.2913000    
 H  -0.5032000      -2.971400      0.2566000    
 H   -2.888200      -3.497600     -0.1322000    
 H    3.096300      -2.155100     -0.3483000    
 H    2.152700       2.048800     -0.2845000    
 H    5.468900      -1.629800      4.3000001E-02
 H    4.524800       2.576800      0.1065000    
 H   -4.113800       1.707700       2.057000    
 H    6.812200       1.772600      0.4172000    
 H    7.195300      6.4300001E-02  0.3914000    


%chk=000066879-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000066879

0 1
S -4.087995 0.472542 -1.455302
O -4.361928 1.993250 -0.413823
O -3.210174 0.893615 -2.747371
O -5.510051 -0.278166 -1.647204
N 0.549783 -0.843335 0.850505
N 1.094375 -0.039675 -0.036873
N 6.688248 0.717003 -0.015439
C -3.033955 -0.437475 -0.184998
C -1.656699 -0.228491 -0.213911
C -0.873648 -0.942673 0.740455
C -3.707972 -1.294178 0.705055
C -1.512662 -1.814590 1.661996
C -2.912393 -1.992201 1.642465
C 2.498425 0.092121 0.038897
C 5.316429 0.515576 -0.002193
C 3.090252 0.955042 -0.928335
C 3.341345 -0.561107 0.991902
C 4.473837 1.167530 -0.954784
C 4.722056 -0.353284 0.972227
H -1.168366 0.437944 -0.931516
H -4.794102 -1.415287 0.653973
H -0.884077 -2.347072 2.382728
H -3.389133 -2.671477 2.355922
H 2.429614 1.446120 -1.650347
H 2.878800 -1.222688 1.730802
H 4.915515 1.833872 -1.704798
H 5.365452 -0.855490 1.705265
H -4.905806 2.633034 -0.959720
H 7.291412 0.255304 0.660320
H 7.120118 1.330439 -0.701696