%chk=000130527.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130527

0 1
 S   -1.427300      -1.817400      0.4904000    
 O   -3.600800      0.9074000     -0.5516000    
 O   -3.309400       1.181000       1.719400    
 N   -5.414300     -0.9981000      0.3071000    
 C    3.763300      -1.954000      0.4192000    
 C    3.199000      -2.573600     -0.8657000    
 C    3.150600       1.861200       1.313600    
 C    3.138500      0.3480000       1.358100    
 C    3.696400     -0.4519000      0.4281000    
 C    1.721700      -2.319100      -1.077800    
 C    1.758000       2.501700       1.256500    
 C    2.478300     -0.2541000       2.571700    
 C   0.7395000      -3.084400     -0.5608000    
 C   0.9586000       2.070600      5.8100000E-02
 C    1.381900      -1.156100      -1.973200    
 C  -0.7364000      -2.928500     -0.7666000    
 C   -3.154200      -1.858600     -4.1600000E-02
 C   -4.042500     -0.9600000      0.8199000    
 C   0.8824000       2.680500      -1.139800    
 C   5.1000002E-03   2.120900      -2.227100    
 C    1.637200       3.921000      -1.524000    
 C   -3.599400      0.4914000      0.7496000    
 C   -3.226200       2.272200     -0.7635000    
 H    3.249500      -2.403800       1.273300    
 H    4.818000      -2.242300      0.5078000    
 H    3.368400      -3.657900     -0.8253000    
 H    3.765300      -2.223100      -1.738200    
 H    3.677900       2.234100       2.200700    
 H    3.736400       2.203400      0.4504000    
 H    4.188000      2.9800000E-02 -0.4164000    
 H    1.863700       3.592100       1.279300    
 H    1.186300       2.251200       2.158900    
 H    2.519800      0.4430000       3.416500    
 H    1.425400     -0.4698000       2.365500    
 H    2.971400      -1.164600       2.922100    
 H    1.033300      -3.922500      7.0000000E-02
 H   0.3729000       1.165200      0.2103000    
 H   0.3273000     -0.8797000      -1.970300    
 H    1.940400     -0.2646000      -1.679400    
 H    1.659500      -1.394800      -3.005700    
 H  -0.9735000      -2.564700      -1.770600    
 H   -1.207400      -3.912800     -0.6686000    
 H   -3.192600      -1.560200      -1.095800    
 H   -3.508000      -2.894200      2.2100000E-02
 H   -4.037400      -1.280800       1.867400    
 H  -0.6861000       2.889900      -2.587400    
 H  -0.5964000       1.273300      -1.885600    
 H   0.6159000       1.784500      -3.071100    
 H   0.9397000       4.743600      -1.712400    
 H    2.344500       4.250200     -0.7589000    
 H    2.214500       3.741800      -2.437400    
 H   -5.423400     -0.7425000     -0.6803000    
 H   -5.764800      -1.954800      0.3487000    
 H   -4.015700       2.932400     -0.3927000    
 H   -2.277300       2.497700     -0.2690000    
 H   -3.113600       2.430800      -1.838900    


%chk=000130527-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130527

0 1
S -1.223814 -1.801933 0.351246
O -3.580139 1.212035 -0.207715
O -2.801215 1.002824 1.979841
N -5.320883 -0.853807 0.493072
C 3.699831 -2.100456 0.679102
C 3.394604 -2.776357 -0.701308
C 2.959447 1.749894 1.278873
C 2.872826 0.233823 1.445661
C 3.624365 -0.587083 0.654121
C 1.984027 -2.483085 -1.211198
C 1.589856 2.474862 1.059173
C 1.942986 -0.248129 2.546322
C 0.926547 -3.205972 -0.732892
C 0.846715 2.012674 -0.178122
C 1.860064 -1.333894 -2.190664
C -0.525564 -2.959508 -1.023933
C -3.049824 -1.744014 -0.177790
C -3.892954 -0.925512 0.842523
C 0.718157 2.669149 -1.369476
C -0.065492 2.045763 -2.516231
C 1.319710 4.029720 -1.679190
C -3.354187 0.506095 0.977388
C -3.119663 2.624044 -0.214406
H 3.006173 -2.518205 1.430229
H 4.724016 -2.412904 0.977196
H 3.538183 -3.867966 -0.581366
H 4.143256 -2.429310 -1.440837
H 3.416802 2.185001 2.194430
H 3.630611 1.993667 0.433005
H 4.269386 -0.109310 -0.102698
H 1.783685 3.563403 1.026281
H 0.949565 2.299778 1.946437
H 2.114857 0.327389 3.477299
H 0.880817 -0.101267 2.270268
H 2.073341 -1.316957 2.779352
H 1.132471 -4.006204 -0.007025
H 0.372591 1.021904 -0.093408
H 0.831392 -1.177806 -2.554809
H 2.190922 -0.392041 -1.712284
H 2.516453 -1.502563 -3.066963
H -0.698469 -2.459667 -1.990649
H -1.118595 -3.888783 -0.979349
H -3.117388 -1.280155 -1.177504
H -3.433515 -2.779747 -0.215914
H -3.792539 -1.382880 1.842117
H -0.870986 2.723351 -2.866291
H -0.526168 1.088155 -2.216597
H 0.589115 1.858484 -3.391791
H 0.529491 4.757819 -1.952858
H 1.893080 4.450543 -0.837265
H 1.999911 3.963581 -2.552140
H -5.516848 -0.352764 -0.377261
H -5.843562 -1.724534 0.608858
H -3.571737 3.173203 0.628420
H -2.020151 2.660008 -0.132635
H -3.459660 3.025647 -1.179645


