%chk=000005327.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005327

0 1
 S  -0.6325000       2.283400      0.1558000    
 O   -1.452300       3.182500      0.9595000    
 O  -0.1471000       2.744700      -1.139200    
 N   0.6989000       1.768000       1.120200    
 N    1.389500     -0.4700000       1.403000    
 N    2.189000      0.8394000     -0.4554000    
 N   -3.706900      -2.743200     -0.6435000    
 C   -1.534900      0.8074000     -7.8900002E-02
 C   -2.531600      0.4476000      0.8285000    
 C   -1.259500     -1.2200000E-02  -1.173600    
 C    1.472200      0.6454000      0.6619000    
 C   -2.977200      -1.551100     -0.4533000    
 C   -3.252600     -0.7317000      0.6412000    
 C   -1.980700      -1.191500      -1.360700    
 C    2.126800      -1.502800      0.9446000    
 C    2.901700     -0.2336000     -0.8567000    
 C    2.909500      -1.441800     -0.1902000    
 C    2.070900      -2.768400       1.732400    
 C    3.716900     -7.1999997E-02  -2.095600    
 H   0.5171000       1.741500       2.132100    
 H   -2.758300       1.066300       1.692100    
 H  -0.4876000      0.2470000      -1.892600    
 H   -4.025500      -1.002100       1.356100    
 H   -1.756300      -1.822000      -2.217200    
 H    3.491600      -2.287500     -0.5357000    
 H    3.068100      -3.034800       2.096700    
 H    1.411500      -2.662700       2.600200    
 H    1.685600      -3.585100       1.113700    
 H    3.608300      0.9362000      -2.509000    
 H    4.777200     -0.2351000      -1.878000    
 H    3.394000     -0.7863000      -2.859700    
 H   -4.428300      -3.005500      1.4900000E-02
 H   -3.506200      -3.338500      -1.436000    


%chk=000005327-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005327

0 1
S -0.671079 1.805669 0.751096
O -1.477181 2.536227 1.962783
O 0.194831 2.662989 -0.314867
N 0.430827 0.684411 1.741744
N 2.435961 -0.440719 2.123382
N 1.457938 -0.338324 -0.122801
N -4.588090 -1.721632 -2.206406
C -1.840870 0.676809 -0.150237
C -3.048783 0.342974 0.488778
C -1.513019 0.246674 -1.448126
C 1.483941 -0.050404 1.211746
C -3.676508 -0.926159 -1.523274
C -3.967755 -0.463774 -0.202674
C -2.438888 -0.554987 -2.135309
C 3.454141 -1.212867 1.641071
C 2.499238 -1.091047 -0.599178
C 3.521043 -1.554745 0.262693
C 4.499602 -1.671507 2.631075
C 2.487073 -1.387370 -2.079785
H 0.500416 0.993620 2.719212
H -3.267028 0.725818 1.490774
H -0.555534 0.531598 -1.892075
H -4.917555 -0.735001 0.272037
H -2.210032 -0.900159 -3.150088
H 4.347102 -2.157668 -0.122912
H 5.512347 -1.366406 2.309809
H 4.291354 -1.238178 3.621023
H 4.501923 -2.774059 2.719187
H 1.538421 -1.878748 -2.361654
H 2.547591 -0.445134 -2.654106
H 3.327834 -2.036847 -2.373431
H -5.473461 -1.983608 -1.782299
H -4.394502 -2.045946 -3.149589


