%chk=000066820.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066820

0 1
 S    2.667700      0.1051000     -0.1016000    
 O    3.150200      6.4800002E-02   1.460000    
 O    3.098100      -1.144700     -0.7112000    
 O    3.071800       1.383400     -0.6660000    
 N   -3.276500      0.1197000      0.1059000    
 N   -3.992500       1.270600     -0.1205000    
 C   -1.168600      -1.105600      6.9999998E-04
 C   0.9226000      0.1035000     -4.2599998E-02
 C   -1.865400      0.1016000      5.5700000E-02
 C   0.2254000      -1.104700     -4.8400000E-02
 C   0.2256000       1.310600      1.2200000E-02
 C   -1.168300       1.309700      6.1500002E-02
 C   -1.890100      -2.414000     -5.5999998E-03
 H   0.7639000      -2.048300     -8.3200000E-02
 H   0.7475000       2.263300      2.7700000E-02
 H   -1.673800       2.270200      0.1132000    
 H   -1.196600      -3.261400     -3.9600000E-02
 H   -2.491400      -2.526300      0.9027000    
 H   -2.537900      -2.491300     -0.8851000    
 H   -3.776600     -0.7593000      5.7999998E-02
 H    2.873000     -0.7340000       1.967500    
 H   -4.893600       1.190400      0.3485000    
 H   -4.198900       1.335500      -1.116600    


%chk=000066820-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000066820

0 1
S 2.693571 0.028857 -0.024618
O 2.917482 -0.005660 1.831996
O 3.249840 -1.375796 -0.611768
O 3.290977 1.433817 -0.566451
N -3.336219 0.072821 -0.089095
N -4.070792 1.260133 -0.085376
C -1.242888 -1.186625 -0.074913
C 0.847115 0.054708 -0.036171
C -1.936979 0.073700 -0.070463
C 0.164001 -1.175510 -0.051898
C 0.190949 1.297908 -0.032566
C -1.213061 1.299484 -0.055796
C -2.007908 -2.497035 -0.100394
H 0.727779 -2.114317 -0.063966
H 0.762759 2.230853 -0.029012
H -1.780205 2.233206 -0.058967
H -1.316143 -3.354772 -0.102551
H -2.665270 -2.610039 0.785569
H -2.644048 -2.587990 -1.004131
H -3.827628 -0.823994 -0.097913
H 3.903936 -0.013570 2.005620
H -4.551951 1.493133 0.784748
H -4.539718 1.505488 -0.958685


