%chk=000049235.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049235

0 1
 S   -2.022400      0.6308000     -0.1552000    
 O   0.2103000      3.8699999E-02   1.952400    
 O    2.427400       1.103400      -1.971400    
 O    2.272200      -3.257500     -0.5913000    
 N    1.063100      -1.688000      0.6440000    
 N    2.276700      -1.082800      -1.292900    
 C   0.7133000      0.5386000     -0.3548000    
 C   0.7548000       2.011000      8.3600000E-02
 C    1.994200       2.352300      0.9166000    
 C  -0.5678000      0.2944000      -1.172400    
 C   0.6485000     -0.3663000      0.8742000    
 C    1.895500      0.2485000      -1.264700    
 C    3.246500       2.168700      5.6100000E-02
 C    2.106900       1.500300       2.181500    
 C    1.878100      -2.099700     -0.4283000    
 C   -3.301400      0.2585000      -1.378900    
 C   0.7611000      -2.681300       1.667700    
 C   -4.716400      0.5136000     -0.8603000    
 C   -5.096100     -0.3534000      0.3432000    
 C   -6.544600     -0.1297000      0.7507000    
 H   0.7196000       2.673200     -0.7927000    
 H  -0.1081000       2.289500      0.6994000    
 H    1.928000       3.407400       1.211200    
 H  -0.6204000     -0.7430000      -1.522400    
 H  -0.5876000      0.9412000      -2.057500    
 H    3.215800       2.747300     -0.8711000    
 H    4.063600       2.662200      0.6068000    
 H    3.627700       1.148700     -2.1600001E-02
 H    2.931500       1.938300       2.767000    
 H    1.257300       1.630400       2.857200    
 H    2.461300      0.4771000       2.042600    
 H    2.970500      -1.336900      -1.990600    
 H   -3.205100     -0.7891000      -1.683700    
 H   -3.132500      0.8834000      -2.262300    
 H   0.5914000      -3.660500       1.210500    
 H    1.622100      -2.750200       2.339800    
 H  -0.1225000      -2.394600       2.244800    
 H   -5.419400      0.3148000      -1.679100    
 H   -4.832900       1.574200     -0.6033000    
 H   -4.458500     -0.1283000       1.204500    
 H   -4.952300      -1.412200      9.8200001E-02
 H   -6.797600     -0.7576000       1.610800    
 H   -7.226400     -0.3840000     -6.7100003E-02
 H   -6.716400      0.9147000       1.030100    


%chk=000049235-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049235

0 1
S -2.387335 -0.596330 0.023166
O 0.136584 -1.035581 1.976188
O 1.427827 0.393606 -2.491006
O 3.958201 -2.688014 -0.137383
N 2.014583 -1.895609 0.915416
N 2.653456 -1.118561 -1.248044
C 0.537731 -0.195075 -0.278618
C 0.269095 1.294940 0.124632
C 1.408233 2.154892 0.750038
C -0.777900 -0.812644 -0.928593
C 0.874635 -1.043764 0.957706
C 1.562235 -0.256872 -1.420244
C 2.593203 2.443268 -0.205705
C 1.926644 1.638526 2.114711
C 2.938513 -1.951144 -0.147719
C -3.214262 0.733820 -1.071553
C 2.297004 -2.750512 2.095098
C -4.525324 1.208060 -0.421924
C -5.616278 0.117045 -0.309599
C -6.933186 0.667542 0.278299
H -0.074404 1.801414 -0.798625
H -0.580345 1.256709 0.832811
H 0.912746 3.130500 0.946258
H -0.640970 -1.897563 -1.077565
H -0.913331 -0.336021 -1.913941
H 2.247735 2.784010 -1.197951
H 3.244735 3.226678 0.224155
H 3.223872 1.547200 -0.357783
H 2.566864 2.405052 2.589560
H 1.099100 1.396214 2.804038
H 2.546065 0.728583 1.998246
H 3.327872 -1.175546 -2.018617
H -3.398893 0.287875 -2.065330
H -2.498495 1.567469 -1.171175
H 2.749647 -3.692328 1.753112
H 2.999029 -2.244389 2.780187
H 1.348169 -2.928481 2.620373
H -4.918406 2.048363 -1.031658
H -4.309303 1.623898 0.582624
H -5.244374 -0.714658 0.319360
H -5.804792 -0.312368 -1.314523
H -7.702440 -0.122442 0.352505
H -7.341967 1.479794 -0.352486
H -6.772774 1.078542 1.292860


