%chk=000072029.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072029

1 1
 S   -3.044300     -1.0100000E-02  -1.513900    
 N    3.196700     -0.5139000      -1.070500    
 N  -0.8290000      2.0000000E-02  0.6669000    
 C    2.922100      0.7317000       1.172500    
 C    1.559500      0.6135000      0.4582000    
 C    1.711900     -0.1861000     -0.8458000    
 C    4.011600      0.7860000      -1.100500    
 C    3.693300      -1.403500      7.7100001E-02
 C    3.870900       1.502100      0.2428000    
 C    3.529300     -0.6583000       1.401000    
 C   0.4716000      1.3900000E-02   1.349200    
 C    3.361300      -1.249200      -2.392100    
 C   -1.454700      -1.232600      0.4431000    
 C   -1.390600       1.281100      0.3434000    
 C   -2.489700      -1.368500     -0.5032000    
 C   -2.419000       1.394200     -0.6130000    
 C   -1.100500      -2.387000       1.175300    
 C  -0.9769000       2.470100      0.9831000    
 C   -3.112300      -2.611300     -0.7158000    
 C   -2.977600       2.646600     -0.9248000    
 C   -1.725800      -3.618700      0.9635000    
 C   -1.539100       3.711500      0.6731000    
 C   -2.730600      -3.731700      1.4700000E-02
 C   -2.538100       3.800200     -0.2843000    
 H    2.818800       1.264900       2.124100    
 H    1.280700       1.631500      0.1663000    
 H    1.181300      -1.144000     -0.8370000    
 H    1.369800      0.3970000      -1.709100    
 H    3.627800       1.398600      -1.924200    
 H    5.055100      0.5218000      -1.305700    
 H    4.743700      -1.646400     -0.1198000    
 H    3.102900      -2.326800      6.1999999E-02
 H    4.858200       1.606400      0.7094000    
 H    3.504200       2.522900      7.9700001E-02
 H    2.925700      -1.252500       2.095000    
 H    4.511000     -0.5600000       1.881700    
 H   0.4043000      0.5355000       2.311900    
 H   0.8245000     -0.9810000       1.612400    
 H    3.002900     -0.5997000      -3.196100    
 H    4.421600      -1.479600      -2.530300    
 H    2.771800      -2.169800      -2.352000    
 H  -0.3761000      -2.376200       1.983000    
 H  -0.2190000       2.470400       1.761500    
 H   -3.904300      -2.719500      -1.454200    
 H   -3.763800       2.736300      -1.671800    
 H   -1.434500      -4.483400       1.552900    
 H   -1.196200       4.605100       1.186700    
 H   -3.220600      -4.685900     -0.1526000    
 H   -2.977500       4.762300     -0.5294000    


%chk=000072029-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072029

1 1
S -2.145132 -0.417311 -1.917101
N 3.184787 -0.210983 -1.234257
N -0.699817 -0.100629 0.719028
C 3.109048 0.406688 1.294516
C 1.695007 0.560893 0.666215
C 1.722720 -0.067216 -0.756325
C 3.924890 1.120682 -0.987608
C 3.864488 -1.315278 -0.398625
C 4.073047 1.362337 0.540567
C 3.626176 -1.045274 1.112846
C 0.550452 -0.074337 1.499608
C 3.218021 -0.569501 -2.708462
C -1.488421 -1.299880 0.669048
C -1.267373 1.132943 0.256042
C -2.264495 -1.574005 -0.488859
C -2.024147 1.142799 -0.947016
C -1.533444 -2.217803 1.750028
C -1.109315 2.351047 0.967372
C -3.067508 -2.728234 -0.571069
C -2.626048 2.325864 -1.419403
C -2.303169 -3.398240 1.651886
C -1.677824 3.546296 0.473867
C -3.072724 -3.657108 0.495605
C -2.439380 3.538972 -0.716496
H 3.083581 0.666242 2.366761
H 1.480706 1.641978 0.568806
H 1.281888 -1.078808 -0.769361
H 1.186745 0.544833 -1.499631
H 3.321228 1.900962 -1.481110
H 4.897616 1.052340 -1.502843
H 4.933759 -1.296057 -0.669832
H 3.436700 -2.276073 -0.729720
H 5.114152 1.186542 0.863583
H 3.833423 2.415015 0.767351
H 2.907995 -1.774317 1.524481
H 4.572559 -1.182510 1.662759
H 0.454426 0.464467 2.465453
H 0.806371 -1.120982 1.740157
H 2.841082 0.281853 -3.295983
H 4.253439 -0.798661 -3.005515
H 2.575983 -1.446945 -2.881164
H -0.995237 -2.001149 2.679120
H -0.570870 2.364890 1.921247
H -3.675487 -2.904092 -1.464304
H -3.229703 2.299492 -2.332315
H -2.322748 -4.100214 2.491883
H -1.546175 4.477400 1.034911
H -3.683560 -4.562310 0.427167
H -2.895413 4.461280 -1.088910


