%chk=000116813.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116813

0 1
 S   0.3080000      0.9644000     -0.7839000    
 O   0.1677000       1.810700      0.3867000    
 O   0.7888000       1.539600      -2.026600    
 O    4.031700       1.373700       1.367200    
 O    2.202300       2.171700      0.4533000    
 N   -1.174700      0.1328000      -1.071100    
 N    2.957800       1.213600      0.7408000    
 C   -2.094800     -5.9000000E-02  7.7500001E-02
 C   -3.034100       1.144000      0.1730000    
 C   -2.872400      -1.361400     -0.1157000    
 C   -4.080500      0.9497000       1.267500    
 C   -3.919000      -1.554400      0.9789000    
 C   -4.854400     -0.3526000       1.081300    
 C   -1.908800      0.4374000      -2.325200    
 C    1.412200     -0.3512000     -0.3522000    
 C    2.583900     -9.9799998E-02  0.3422000    
 C    1.061600      -1.636600     -0.7338000    
 C    3.428600      -1.162100      0.6643000    
 C    1.906200      -2.698900     -0.4115000    
 C    3.089600      -2.461700      0.2874000    
 H   -1.512300     -0.1496000       1.003000    
 H   -3.585000       1.320900     -0.7571000    
 H   -2.470000       2.061500      0.3744000    
 H   -2.177800      -2.210500     -0.1039000    
 H   -3.391200      -1.413900      -1.076800    
 H   -4.777100       1.795800       1.268300    
 H   -3.585900      0.9432000       2.246600    
 H   -3.415000      -1.706600       1.941500    
 H   -4.501700      -2.460600      0.7784000    
 H   -5.545700     -0.4938000       1.919600    
 H   -5.463900     -0.2872000      0.1716000    
 H   -1.299800      9.7700000E-02  -3.170200    
 H   -2.059200       1.517000      -2.429500    
 H   -2.873700     -5.7500001E-02  -2.428200    
 H   0.1671000      -1.864900      -1.302000    
 H    4.359600      -1.020700       1.207300    
 H    1.646000      -3.710200     -0.7103000    
 H    3.747700      -3.289000      0.5366000    


%chk=000116813-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116813

0 1
S 0.175226 0.721531 0.281817
O -0.181349 0.844959 1.861586
O 0.400668 2.031776 -0.663304
O 4.590472 1.732441 0.112067
O 2.585654 1.997138 1.174510
N -1.228961 -0.409430 -0.498253
N 3.419245 1.323102 0.465144
C -2.488922 -0.185943 0.294458
C -3.243974 1.133484 0.002708
C -3.404910 -1.422159 0.094521
C -4.500081 1.243466 0.902346
C -4.667001 -1.302521 0.986426
C -5.427446 0.018348 0.722649
C -1.288649 -0.074212 -1.948711
C 1.669796 -0.474835 0.014638
C 3.016882 -0.050741 0.053562
C 1.358008 -1.809443 -0.297427
C 4.056864 -0.957634 -0.246052
C 2.400508 -2.724676 -0.576653
C 3.746516 -2.296636 -0.559575
H -2.166892 -0.170811 1.355322
H -3.559621 1.163211 -1.059735
H -2.574669 1.998065 0.174482
H -2.839859 -2.341538 0.336461
H -3.715608 -1.492810 -0.968260
H -5.046288 2.177086 0.668750
H -4.184623 1.315198 1.963062
H -4.363183 -1.343406 2.052224
H -5.328343 -2.172080 0.807211
H -6.297928 0.096027 1.401930
H -5.827926 0.010308 -0.312494
H -0.357307 -0.405296 -2.439568
H -1.431314 1.002474 -2.160276
H -2.130422 -0.643792 -2.381821
H 0.302786 -2.100676 -0.332388
H 5.087244 -0.592382 -0.216952
H 2.153665 -3.764774 -0.812355
H 4.553545 -3.001318 -0.782649


