%chk=000046376.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046376

0 1
 S    1.662000       1.507300      0.1530000    
 O   -1.258300      -2.084700     -0.2717000    
 O    7.779000     -0.2007000      1.9700000E-02
 O    7.068100       1.864500      0.2401000    
 O   -7.795800     -0.1690000      0.4918000    
 O   -7.260800       1.822200     -0.2618000    
 N    1.506600      -1.051600     -0.1300000    
 N  -0.5723000      0.1557000     -1.6500000E-02
 N    6.849400      0.6371000      0.1034000    
 N   -6.943700      0.6603000      9.0599999E-02
 C    3.141800      0.6263000      6.8999998E-02
 C    2.856100     -0.7338000     -8.3200000E-02
 C   0.7927000      4.3900002E-02 -1.5500000E-02
 C    4.460600       1.104400      0.1334000    
 C    3.930100      -1.645700     -0.1743000    
 C    5.504900      0.1809000      4.0800001E-02
 C   -2.930100     -0.4831000     -7.8800000E-02
 C    5.245400      -1.176700     -0.1110000    
 C   -1.501200     -0.8901000     -0.1417000    
 C   -3.863200      -1.396200      0.3642000    
 C   -3.274200      0.7942000     -0.4673000    
 C   -5.579100      0.2723000      3.4299999E-02
 C   -5.203500      -1.014000      0.4215000    
 C   -4.614500       1.176500     -0.4101000    
 H    4.636500       2.169700      0.2523000    
 H    3.738100      -2.708400     -0.2930000    
 H    6.044200      -1.910900     -0.1847000    
 H  -0.8979000       1.105300      0.1334000    
 H   -3.587800      -2.399500      0.6751000    
 H   -2.564600       1.515500     -0.8582000    
 H   -5.927400      -1.744400      0.7740000    
 H   -4.872300       2.183500     -0.7285000    


%chk=000046376-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046376

0 1
S 1.785882 1.679922 0.553202
O -1.156192 -2.062061 0.218005
O 7.903941 -0.365672 -0.180082
O 7.280314 1.740933 0.437493
O -7.953641 -0.273894 0.389894
O -7.441145 1.683797 -0.665112
N 1.531022 -0.916648 -0.226526
N -0.574106 0.224550 0.141587
N 7.009540 0.524552 0.093888
N -7.113487 0.563589 -0.115224
C 3.266371 0.689827 0.223410
C 2.905273 -0.650225 -0.162368
C 0.812289 0.130389 0.097977
C 4.602940 1.097481 0.311295
C 3.921423 -1.591334 -0.457670
C 5.584454 0.126600 0.008271
C -2.943075 -0.429177 0.057518
C 5.267432 -1.202741 -0.371450
C -1.498908 -0.858646 0.136841
C -3.910976 -1.323283 0.585442
C -3.363733 0.783536 -0.551597
C -5.666820 0.215518 -0.058403
C -5.279625 -1.004986 0.536962
C -4.731311 1.113499 -0.613583
H 4.913607 2.104916 0.597192
H 3.634673 -2.605524 -0.746737
H 6.080911 -1.898502 -0.589738
H -0.963755 1.161516 0.265531
H -3.566994 -2.265535 1.022442
H -2.640863 1.456880 -1.026632
H -6.043133 -1.672777 0.943736
H -5.083507 2.034300 -1.085267


