%chk=000032247.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032247

0 1
 S   -3.621600      -1.249500     -0.4172000    
 N   0.9071000      7.3500000E-02  0.6112000    
 N    4.508300      0.8227000     -2.0000000E-02
 N   6.2500000E-02   1.126800      0.6100000    
 C   -1.017400     -0.8084000      0.1270000    
 C   0.3124000      -1.124900      0.3256000    
 C    2.304800      0.2935000      0.9025000    
 C    3.111700      0.5819000     -0.3603000    
 C   -1.124600      0.5834000      0.3114000    
 C   -1.956300      -1.788700     -0.1897000    
 C   -2.394200       1.281800      0.1805000    
 C   -1.509100      -3.108000     -0.3008000    
 C   0.7891000      -2.431100      0.2218000    
 C   -3.563200      0.5455000     -0.1426000    
 C    5.292400       1.100700      -1.224800    
 C    5.069800     -0.3236000      0.6973000    
 C  -0.1570000      -3.418400     -9.7099997E-02
 C   -2.473000       2.668400      0.3698000    
 C   -2.449600      -4.220600     -0.6367000    
 C   -4.782800       1.229000     -0.2660000    
 C    4.727200       2.287900      -1.985900    
 C    6.506000     -5.9099998E-02   1.116600    
 C   -3.695800       3.326900      0.2420000    
 C   -4.846600       2.610100     -7.4600004E-02
 H    2.367200       1.128200       1.612000    
 H    2.622200     -0.6089000       1.430800    
 H    3.009100     -0.2484000      -1.072000    
 H    2.657200       1.463500     -0.8256000    
 H    1.832500      -2.681700      0.3745000    
 H    6.318000       1.379500     -0.9615000    
 H    5.345200      0.2292000      -1.889500    
 H    4.551000     -0.4978000       1.643100    
 H    5.014500      -1.247600      0.1083000    
 H   0.1880000      -4.447000     -0.1850000    
 H   -1.591700       3.254900      0.6178000    
 H   -1.936900      -5.187700     -0.6847000    
 H   -3.230600      -4.307700      0.1259000    
 H   -2.911300      -4.052000      -1.615200    
 H   -5.699700      0.6977000     -0.5124000    
 H    3.810900       2.039200      -2.530200    
 H    4.531800       3.139800      -1.325500    
 H    5.453200       2.619500      -2.737100    
 H    7.205000     -0.1209000      0.2770000    
 H    6.615300      0.9178000       1.600300    
 H    6.823300     -0.8182000       1.840800    
 H   -3.750100       4.401700      0.3899000    
 H   -5.797000       3.126700     -0.1731000    


%chk=000032247-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000032247

0 1
S -3.755877 -1.344749 -0.303491
N 0.963078 -0.047323 0.602693
N 4.588872 0.682311 -0.264879
N 0.111813 1.045929 0.351893
C -1.061642 -0.930441 0.222994
C 0.289509 -1.267795 0.521865
C 2.391330 0.201718 0.810202
C 3.144166 0.483976 -0.516382
C -1.119141 0.496803 0.128350
C -2.059354 -1.909925 0.077511
C -2.353378 1.220704 -0.161516
C -1.720426 -3.272278 0.229641
C 0.668412 -2.624574 0.681660
C -3.571102 0.500257 -0.369507
C 5.199114 1.763406 -1.083605
C 5.361600 -0.588631 -0.282599
C -0.352182 -3.586468 0.530046
C -2.385246 2.639879 -0.244883
C -2.759965 -4.366587 0.082984
C -4.771622 1.193459 -0.652565
C 4.792021 3.171678 -0.610029
C 6.633335 -0.535555 0.585849
C -3.579331 3.327715 -0.525963
C -4.777967 2.601879 -0.731364
H 2.507928 1.070560 1.478246
H 2.822570 -0.678784 1.318547
H 2.948184 -0.346263 -1.236453
H 2.711560 1.398008 -0.958982
H 1.694000 -2.928269 0.910494
H 6.296965 1.668076 -0.999499
H 4.952895 1.642767 -2.168797
H 4.703227 -1.388445 0.107833
H 5.628721 -0.888013 -1.327887
H -0.094539 -4.646203 0.647054
H -1.447546 3.180777 -0.081123
H -2.316052 -5.364126 0.238572
H -3.582525 -4.243994 0.814316
H -3.222002 -4.354567 -0.923442
H -5.699908 0.633229 -0.810787
H 3.699734 3.327278 -0.673523
H 5.095843 3.321394 0.440588
H 5.276947 3.945044 -1.234700
H 7.343217 0.232760 0.230059
H 6.370118 -0.295342 1.630640
H 7.157313 -1.509445 0.564316
H -3.581542 4.421208 -0.585036
H -5.713925 3.126564 -0.950742


