%chk=000029884.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029884

0 1
 S    1.709000      -1.199100     -0.6721000    
 O  -0.8892000     -0.1918000      -1.579700    
 N   -5.150800     -0.6681000      7.0400000E-02
 N   -2.013300       1.294800     -0.2000000    
 C   -3.793200     -0.2451000      0.3904000    
 C   -3.349800      0.8693000     -0.5486000    
 C   -6.113000      0.4624000      0.1638000    
 C   -5.558400      -1.783000      0.9281000    
 C    2.798000      0.9544000      0.2330000    
 C    1.577700      0.4503000     -0.2198000    
 C   0.4189000       1.251000     -0.2736000    
 C    3.845100     -5.0000001E-02  0.1988000    
 C    3.376800      -1.275000     -0.2786000    
 C  -0.8546000      0.7296000     -0.7450000    
 C    2.839700       2.312700      0.6430000    
 C   -7.504600      4.3400001E-02 -0.2632000    
 C   -4.582600      -2.938100      0.8377000    
 C   0.4955000       2.582500      0.1367000    
 C    5.213900      3.5900000E-02  0.5654000    
 C    1.693700       3.110600      0.5915000    
 C    4.222400      -2.396500     -0.3980000    
 C    6.056100      -1.073000      0.4489000    
 C    5.562700      -2.277000     -2.8999999E-02
 H   -3.073500      -1.060000      0.2585000    
 H   -3.715900      8.8299997E-02   1.434000    
 H   -3.946300       1.779100     -0.4561000    
 H   -3.365100      0.5393000      -1.593300    
 H   -6.135900      0.8816000       1.176900    
 H   -5.842200       1.264000     -0.5272000    
 H   -5.663800      -1.470600       1.974500    
 H   -6.526800      -2.176500      0.6021000    
 H   -1.939900       1.995600      0.5302000    
 H    3.770000       2.747200       1.001100    
 H   -7.492000     -0.4818000      -1.224300    
 H   -7.994400     -0.5927000      0.4803000    
 H   -8.137700      0.9299000     -0.3827000    
 H   -4.335000      -3.185200     -0.2006000    
 H   -3.657800      -2.752200       1.392900    
 H   -5.033400      -3.832500       1.283200    
 H  -0.3589000       3.252000      8.5000001E-02
 H    5.621100      0.9711000      0.9423000    
 H    1.747100       4.150200      0.9025000    
 H    3.843600      -3.343900     -0.7715000    
 H    7.100800     -0.9886000      0.7342000    
 H    6.222700      -3.135500     -0.1173000    


%chk=000029884-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000029884

0 1
S 1.616408 -1.405517 -0.250105
O -1.000997 -0.647616 -0.808590
N -5.244342 -0.544619 0.364260
N -2.031977 1.378978 -0.356299
C -3.889814 -0.010953 0.628052
C -3.381091 0.824857 -0.576401
C -6.331162 0.335832 0.862483
C -5.404934 -1.979334 0.717710
C 2.875791 0.967708 0.131085
C 1.583535 0.409641 -0.130108
C 0.433378 1.229265 -0.266459
C 3.919941 -0.047792 0.267381
C 3.412338 -1.369820 0.101553
C -0.906104 0.588350 -0.499531
C 3.015486 2.372716 0.227240
C -7.650845 0.176592 0.082341
C -4.675869 -2.914190 -0.267023
C 0.616117 2.635262 -0.184460
C 5.301907 0.130208 0.531581
C 1.888869 3.201260 0.059290
C 4.247029 -2.501658 0.190618
C 6.144394 -0.994691 0.625146
C 5.620181 -2.304630 0.455902
H -3.180385 -0.843441 0.772620
H -3.856810 0.609588 1.555295
H -4.074287 1.659194 -0.787788
H -3.353512 0.165179 -1.459502
H -6.519270 0.179074 1.955962
H -5.986455 1.382492 0.754788
H -5.055352 -2.183346 1.761526
H -6.484724 -2.214569 0.696848
H -1.942271 2.328580 0.003115
H 3.998978 2.813670 0.423008
H -7.482632 0.373136 -0.990904
H -8.067567 -0.842091 0.179217
H -8.411543 0.885063 0.460844
H -5.084895 -2.786835 -1.284605
H -3.592299 -2.701797 -0.310269
H -4.801718 -3.970458 0.036935
H -0.231387 3.312198 -0.342760
H 5.713948 1.137307 0.662905
H 1.997156 4.289450 0.112275
H 3.845344 -3.511625 0.058656
H 7.212016 -0.860378 0.829650
H 6.286125 -3.171240 0.531320


