%chk=000079950.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079950

0 1
 S    2.125900      -1.915700      0.3591000    
 O    1.006400      0.2761000      -2.846700    
 O    2.128100      -2.271500      -1.235200    
 O    3.146300      -2.742300      0.9832000    
 O   0.7515000      -1.945100      0.8296000    
 N   0.5822000      0.5526000     -0.5321000    
 N  -0.5143000      0.5268000      0.2982000    
 C   -1.220700      0.1189000      -1.889700    
 C   -1.551100      0.2838000     -0.4374000    
 C    1.837200      0.7949000      3.1999999E-03
 C   0.2677000      0.3177000      -1.877300    
 C    2.655900     -0.2489000      0.4536000    
 C   -2.916500      0.1726000      5.0099999E-02
 C    2.299700       2.113700      9.5399998E-02
 C    3.916100      2.2200000E-02  0.9869000    
 C    3.559800       2.384500      0.6288000    
 C   -3.955900     -9.3400002E-02 -0.8414000    
 C   -3.187100      0.3314000       1.409300    
 C    4.367900       1.338900       1.074600    
 C   -5.265700     -0.2002000     -0.3740000    
 C   -4.497000      0.2243000       1.876700    
 C   -5.536200     -4.1499998E-02  0.9851000    
 H   -1.457200     -0.8882000      -2.239900    
 H   -1.693800      0.8939000      -2.496600    
 H    1.681200       2.939500     -0.2485000    
 H    4.571900     -0.7676000       1.340700    
 H    3.911900       3.409700      0.6968000    
 H   -3.784800     -0.2233000      -1.905700    
 H   -2.395300      0.5387000       2.124200    
 H    5.349200       1.550200       1.489300    
 H   -6.075300     -0.4071000      -1.067800    
 H   -4.708100      0.3478000       2.934900    
 H   -6.556000     -0.1248000       1.349100    
 H    3.004700      -2.206400      -1.682200    


%chk=000079950-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000079950

0 1
S 2.943956 -2.084322 -0.265760
O 1.132363 -0.741414 -2.503744
O 3.393731 -2.052391 -2.023070
O 4.210385 -2.764354 0.460775
O 1.448411 -2.676799 -0.062256
N 0.553084 0.208320 -0.395197
N -0.638853 0.565896 0.320039
C -1.225556 -0.590379 -1.660406
C -1.669421 0.108451 -0.390915
C 1.806626 0.600189 0.159992
C 0.289069 -0.424234 -1.619899
C 2.950880 -0.232239 0.208482
C -3.056235 0.283210 0.054716
C 1.917843 1.906005 0.705265
C 4.177780 0.209904 0.733767
C 3.137162 2.358478 1.244188
C -4.131362 -0.199072 -0.741862
C -3.346430 0.934521 1.288389
C 4.275568 1.519572 1.248350
C -5.466104 -0.031368 -0.317854
C -4.679565 1.100338 1.706592
C -5.745472 0.619473 0.905722
H -1.470228 -1.669002 -1.658527
H -1.646075 -0.154784 -2.582747
H 1.030617 2.545312 0.696610
H 5.024580 -0.483897 0.767053
H 3.200418 3.370150 1.657873
H -3.928533 -0.707684 -1.691278
H -2.516550 1.296205 1.903634
H 5.225885 1.872188 1.660294
H -6.286138 -0.408040 -0.938392
H -4.893093 1.600654 2.657260
H -6.782143 0.748648 1.235044
H 2.612002 -1.565333 -2.467837


