%chk=000055515.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055515

0 1
 S    3.692500      0.4963000      0.9971000    
 O  -0.9853000      -1.093200      3.8600001E-02
 O   0.8744000       1.012300      0.5889000    
 O    1.042700       1.421800      -1.683900    
 O    2.840700     -0.9022000       1.310100    
 N    2.972200      0.8957000     -0.5046000    
 C   -2.202100      -1.764600     -0.3992000    
 C   -3.412400     -0.8513000     -9.3699999E-02
 C   -2.713600      0.4306000      0.1501000    
 C   -1.349000      0.2128000      0.2350000    
 C   -2.066900      -2.039200      -1.902300    
 C   -2.300000      -3.086100      0.3647000    
 C   -3.242700       1.695500      0.3329000    
 C  -0.4607000       1.236600      0.5035000    
 C   -2.363000       2.748300      0.5970000    
 C  -0.9800000       2.519900      0.6826000    
 C    1.599100       1.132600     -0.6246000    
 C    3.868200      0.9751000      -1.649100    
 C    3.002700      -1.916400      0.3286000    
 C    2.183200      -3.124800      0.7284000    
 H   -3.944600      -1.159500      0.8128000    
 H   -4.119600     -0.7944000     -0.9267000    
 H   -2.938100      -2.575400      -2.292100    
 H   -1.954100      -1.105700      -2.465300    
 H   -1.169900      -2.634100      -2.108800    
 H   -3.198700      -3.645700      8.6499996E-02
 H   -1.423500      -3.714700      0.1710000    
 H   -2.318900      -2.910000       1.446300    
 H   -4.311700       1.870700      0.2787000    
 H   -2.751500       3.752500      0.7431000    
 H  -0.3152000       3.353800      0.8932000    
 H    4.385800      1.9400001E-02  -1.777000    
 H    4.598600       1.772200      -1.478700    
 H    3.314800       1.198300      -2.565300    
 H    2.651400      -1.588400     -0.6551000    
 H    4.058800      -2.202200      0.2537000    
 H    2.281100      -3.926200     -9.1000004E-03
 H    2.505300      -3.502600       1.704400    
 H    1.125400      -2.860400      0.8243000    


%chk=000055515-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055515

0 1
S 3.484854 0.578351 0.829267
O -1.210345 -0.829002 -0.301133
O 0.714182 1.325252 0.379678
O 0.683374 0.999296 -1.958147
O 3.124255 -1.101241 1.458067
N 2.645755 0.673273 -0.728407
C -2.494128 -1.520734 -0.792107
C -3.654034 -0.692438 -0.139776
C -2.984864 0.622585 0.235013
C -1.586148 0.445820 0.121116
C -2.482883 -1.392529 -2.325212
C -2.406063 -2.970690 -0.310089
C -3.512662 1.843609 0.686873
C -0.700459 1.495000 0.430117
C -2.620136 2.895874 1.020822
C -1.222587 2.720809 0.891168
C 1.283254 0.987664 -0.860268
C 3.349070 0.298974 -1.981002
C 3.951289 -2.181793 0.851772
C 3.584029 -3.450131 1.624173
H -4.047357 -1.205186 0.759389
H -4.491849 -0.561896 -0.847374
H -3.360210 -1.905953 -2.761052
H -2.506438 -0.330958 -2.627450
H -1.565465 -1.843294 -2.739704
H -3.306940 -3.531529 -0.619850
H -1.520853 -3.468918 -0.741890
H -2.325694 -3.012336 0.789748
H -4.594700 1.984065 0.784447
H -3.011111 3.854500 1.376308
H -0.524135 3.525915 1.139371
H 2.964469 -0.657087 -2.379744
H 4.422756 0.208374 -1.758642
H 3.190411 1.077270 -2.746178
H 3.700856 -2.283679 -0.223387
H 5.028133 -1.938726 0.950468
H 4.146463 -4.314208 1.223381
H 3.826574 -3.338111 2.694543
H 2.504737 -3.658891 1.531690


