%chk=000001076.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001076

0 1
 S    1.793200       1.157900     -0.6475000    
 S    3.915700      -3.295400     -0.3659000    
 O   -5.118600      -1.179500     -0.2684000    
 O    3.683100       1.716900       1.120000    
 N   -6.048500      0.9246000     -0.2051000    
 C  -1.9800000E-02 -0.6684000      0.4145000    
 C    1.376800     -6.0500000E-02  0.6562000    
 C   -1.147600      0.3701000      0.3422000    
 C    2.436300      -1.182000      0.7181000    
 C   -2.504500     -0.3044000      0.1120000    
 C   -3.653600      0.7012000      5.8300000E-02
 C    2.633800      -2.021500     -0.5489000    
 C   -4.997500      3.7700001E-02 -0.1534000    
 C    3.364300       1.689400     -6.2500000E-02
 C    4.286900       2.113800      -1.169700    
 H  -0.2418000      -1.377500       1.222500    
 H  -3.1800002E-02  -1.245300     -0.5179000    
 H    1.361400      0.4664000       1.617600    
 H   -1.175600      0.9439000       1.276300    
 H  -0.9814000       1.081400     -0.4731000    
 H    2.148400      -1.859100       1.535100    
 H    3.402800     -0.7672000       1.027100    
 H   -2.474400     -0.8756000     -0.8246000    
 H   -2.691300      -1.028900      0.9148000    
 H   -3.490300       1.412900     -0.7596000    
 H   -3.697100       1.269700      0.9948000    
 H    2.925900      -1.396200      -1.396700    
 H    1.710400      -2.540400     -0.8188000    
 H    4.935700      -2.455900     -0.1350000    
 H    3.859900       2.957500      -1.718800    
 H    4.476700       1.276500      -1.847200    
 H    5.242200       2.431200     -0.7406000    
 H   -5.916600       1.926200     -0.1073000    
 H   -6.999700      0.6004000     -0.3438000    


%chk=000001076-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001076

0 1
S 2.143089 0.556386 -1.064321
S 3.890922 -4.032036 0.151825
O -5.157818 -0.868461 -0.320547
O 2.995894 2.096580 1.051773
N -5.830067 1.340884 -0.143005
C 0.095013 -0.916985 0.241127
C 1.547101 -0.446235 0.465721
C -0.944944 0.224025 0.258010
C 2.553553 -1.577385 0.782926
C -2.385733 -0.289780 0.050029
C -3.420135 0.851146 0.064930
C 2.654183 -2.664503 -0.300041
C -4.857557 0.348884 -0.149208
C 2.967050 1.985986 -0.193595
C 3.587533 2.974297 -1.164585
H -0.143463 -1.639762 1.050255
H 0.011698 -1.479692 -0.709667
H 1.592385 0.300614 1.281828
H -0.873383 0.764575 1.225217
H -0.688422 0.958154 -0.532401
H 2.248186 -2.049078 1.738843
H 3.550272 -1.128276 0.954726
H -2.460117 -0.832046 -0.911486
H -2.647141 -1.026158 0.833407
H -3.178383 1.592349 -0.724494
H -3.371399 1.396422 1.030034
H 2.948093 -2.237327 -1.273321
H 1.703287 -3.207561 -0.427427
H 5.011679 -3.215780 0.161524
H 2.828629 3.346104 -1.875696
H 4.380633 2.481090 -1.754762
H 4.018712 3.820449 -0.607121
H -5.602607 2.324090 -0.005492
H -6.803342 1.068929 -0.280306


