%chk=000178613.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178613

0 1
 S    1.765800     -0.1028000       1.003400    
 P   0.3154000     -9.2100002E-02 -0.5114000    
 O    1.063400     -0.2728000      -1.811900    
 O    2.751100      0.8352000      0.3823000    
 N  -0.7814000      -1.307800     -0.1567000    
 N  -0.5629000       1.327000     -0.3990000    
 C   -1.662300      -1.062800      0.9961000    
 C   -1.468200       1.474500      0.7498000    
 C   -2.409200      0.2696000      0.8744000    
 C   -1.539200      -1.876100      -1.273000    
 C   0.1339000       2.587500     -0.6513000    
 C    2.393500      -1.779200      0.7974000    
 H   -1.050200      -1.046400       1.905600    
 H   -2.374700      -1.884900       1.134600    
 H   -2.086900       2.373000      0.6369000    
 H  -0.8895000       1.585800       1.674600    
 H   -3.090300      0.2436000      1.4900000E-02
 H   -3.036500      0.4047000       1.763700    
 H   -2.218500      -1.142100      -1.717100    
 H   -2.115000      -2.754000     -0.9615000    
 H  -0.8518000      -2.214100      -2.055200    
 H   0.7416000       2.508500      -1.558400    
 H   0.7935000       2.857300      0.1793000    
 H  -0.5762000       3.404900     -0.8163000    
 H    3.264400      -1.910400       1.443700    
 H    2.684900      -1.943900     -0.2420000    
 H    1.620100      -2.494500       1.084800    


%chk=000178613-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178613

0 1
S 1.596100 -1.061315 1.316157
P -0.058072 -0.434033 -0.652760
O 0.650005 -0.733306 -2.065691
O 1.614154 0.437096 2.090323
N -1.628306 -1.178129 -0.417303
N -0.351922 1.228863 -0.233040
C -2.479213 -0.724821 0.712063
C -1.277903 1.541570 0.889995
C -2.625181 0.809917 0.730200
C -1.788614 -2.576098 -0.861077
C 0.702801 2.223204 -0.529185
C 3.124537 -1.028700 0.141370
H -2.084427 -1.087271 1.689054
H -3.471959 -1.192530 0.569796
H -1.450977 2.633880 0.857339
H -0.798752 1.306240 1.862223
H -3.112393 1.136627 -0.206233
H -3.281106 1.091181 1.576246
H -2.820260 -2.718306 -1.232212
H -1.601370 -3.309835 -0.048215
H -1.093914 -2.778123 -1.693911
H 1.356322 1.839400 -1.331571
H 1.314672 2.441450 0.365271
H 0.225856 3.151487 -0.896865
H 3.781052 -1.868806 0.413359
H 3.601047 -0.057660 0.343233
H 2.772621 -1.104284 -0.900864


