%chk=000071223.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071223

0 1
 S    2.199600       1.235700      0.5163000    
 O    2.561600       2.339700     -0.4399000    
 O   -5.313000      -1.531900      -1.177400    
 O   -5.638200      -1.528000       1.101400    
 N  -0.4704000       2.022700      0.2687000    
 N  -0.1570000     -0.1729000      0.4148000    
 N    4.778200      3.8500000E-02  -1.434500    
 C   -1.723400       1.469000      0.2045000    
 C   -1.501100      9.7999997E-02  0.2977000    
 C   0.4308000       1.002300      0.3940000    
 C   -4.075000       1.146400      4.4100001E-02
 C   -2.993400       2.032700      7.6899998E-02
 C   -3.883700     -0.2343000      0.1355000    
 C   -2.599200     -0.7779000      0.2632000    
 C    2.703800     -0.3231000     -0.2603000    
 C    4.198000     -0.4548000     -0.3212000    
 C   -5.451500       1.717700     -9.0599999E-02
 C    4.882100      -1.049900      0.7217000    
 C   -5.018600      -1.148200      0.1012000    
 C    6.265100      -1.146500      0.6147000    
 C    4.190000      -1.578700       1.930400    
 C    6.905500     -0.6512000     -0.5158000    
 C    6.123800     -7.3200002E-02  -1.503100    
 C   -6.414100      -2.432000      -1.342500    
 H  -0.2540000       3.009900      0.2301000    
 H   -3.123400       3.107300      7.3000002E-03
 H   -2.447700      -1.850900      0.3346000    
 H    2.300100     -0.3347000      -1.280200    
 H    2.246800      -1.166200      0.2655000    
 H   -5.926100       1.361900      -1.011000    
 H   -6.069400       1.437100      0.7687000    
 H   -5.436200       2.812200     -0.1349000    
 H    6.857100      -1.604900       1.402200    
 H    4.908300      -1.928100       2.680900    
 H    3.585100     -0.8049000       2.412400    
 H    3.556500      -2.433000       1.670900    
 H    7.982500     -0.7156000     -0.6211000    
 H    6.574800      0.3284000      -2.404500    
 H   -7.336500      -1.969600     -0.9789000    
 H   -6.217200      -3.369600     -0.8143000    
 H   -6.523100      -2.644600      -2.409300    


%chk=000071223-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071223

0 1
S 2.376508 2.078884 0.691546
O 2.134347 3.642559 0.111335
O -4.221717 -2.433133 0.603615
O -5.917392 -0.992293 -0.056225
N -0.305480 2.387484 0.080991
N 0.137263 0.224544 0.704757
N 5.429905 0.653499 -0.017942
C -1.536629 1.728377 0.029547
C -1.250159 0.371395 0.421063
C 0.626765 1.442372 0.482848
C -3.892200 1.205931 -0.258598
C -2.837938 2.145859 -0.307610
C -3.606019 -0.159233 0.137153
C -2.290203 -0.569840 0.473725
C 3.212410 1.065785 -0.860423
C 4.220835 0.090787 -0.352876
C -5.285632 1.682798 -0.627576
C 3.943318 -1.306863 -0.212222
C -4.699754 -1.173090 0.201611
C 4.994958 -2.117775 0.286720
C 2.601977 -1.911271 -0.575602
C 6.239787 -1.548137 0.629681
C 6.410940 -0.154198 0.462768
C -5.247892 -3.494202 0.698443
H -0.016644 3.352929 -0.127853
H -3.046838 3.178433 -0.604159
H -2.101661 -1.602999 0.770125
H 3.666765 1.917701 -1.387537
H 2.358707 0.632362 -1.397158
H -5.700832 1.108834 -1.473800
H -5.998664 1.537584 0.202129
H -5.265115 2.752773 -0.897538
H 4.830313 -3.194723 0.406192
H 2.596293 -2.996088 -0.373990
H 1.772759 -1.452212 -0.004378
H 2.374013 -1.772710 -1.650139
H 7.057583 -2.163147 1.018158
H 7.357670 0.335481 0.717302
H -5.730299 -3.651928 -0.281031
H -6.018905 -3.218296 1.437612
H -4.695640 -4.389432 1.017535


