%chk=000094725.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094725

0 1
 S   6.9799997E-02  3.3500001E-02  -2.489200    
 P   5.2999998E-03  2.5200000E-02 -0.5181000    
 N    1.161100     -0.9339000      0.2240000    
 N   0.2132000       1.520100      0.2166000    
 N   -1.428300     -0.5234000      0.1594000    
 C    1.304500      -2.340100     -0.1480000    
 C    1.288000       2.414900     -0.2082000    
 C   -2.711800      6.1700001E-02 -0.2236000    
 C    2.780200      -2.748800     -8.0600001E-02
 C   0.4465000      -3.213100      0.7743000    
 C    1.043400       3.822800      0.3461000    
 C    2.639800       1.864100      0.2592000    
 C   -3.797400      -1.020200     -0.2262000    
 C   -3.070700       1.202700      0.7347000    
 C    2.960900      -4.234100     -0.3890000    
 C   0.6299000      -4.697700      0.4641000    
 C    2.187500       4.769100     -1.3600000E-02
 C    3.781700       2.812700     -0.1011000    
 C   -5.169700     -0.4308000     -0.5476000    
 C   -4.443700       1.789500      0.4114000    
 C    2.099100      -5.106700      0.5191000    
 C    3.536900       4.218700      0.4394000    
 C   -5.526100      0.7138000      0.3967000    
 H   0.9696000      -2.493800      -1.179700    
 H    1.292000       2.493200      -1.301000    
 H   -2.649600      0.4676000      -1.239600    
 H    3.185600      -2.539200      0.9182000    
 H    3.368700      -2.157000     -0.7926000    
 H  -0.6156000      -2.972100      0.6672000    
 H   0.7109000      -3.033200       1.824700    
 H   0.9406000       3.788000       1.438900    
 H   0.1024000       4.225700     -4.8300002E-02
 H    2.857200      0.9030000     -0.2160000    
 H    2.634500       1.700800       1.344700    
 H   -3.841300      -1.514600      0.7534000    
 H   -3.555200      -1.796200     -0.9627000    
 H   -2.332800       2.009200      0.6786000    
 H   -3.072500      0.8432000       1.772200    
 H    1.272300     -0.8258000       1.231500    
 H   0.1516000       1.521300       1.234600    
 H   -1.417200     -0.7083000       1.161900    
 H    4.015200      -4.508900     -0.2716000    
 H    2.695900      -4.424000      -1.436500    
 H   0.2274000      -4.914500     -0.5331000    
 H   5.3900000E-02  -5.297300       1.178100    
 H    2.015000       5.747800      0.4483000    
 H    2.203200       4.926400      -1.099100    
 H    3.890700       2.855200      -1.191900    
 H    4.724800       2.423300      0.2989000    
 H   -5.932200      -1.215000     -0.4804000    
 H   -5.176800     -6.6200003E-02  -1.582200    
 H   -4.407700       2.284800     -0.5667000    
 H   -4.698900       2.558400       1.149500    
 H    2.200600      -6.157500      0.2256000    
 H    2.461100      -5.026700       1.551500    
 H    4.338600       4.887000      0.1056000    
 H    3.572800       4.198800       1.535600    
 H   -6.482000       1.156600      9.5200002E-02
 H   -5.662000      0.3199000       1.411500    


%chk=000094725-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094725

0 1
S 0.175246 0.031655 -1.975314
P 0.105616 -0.095177 0.124785
N 0.909785 -1.469782 0.845304
N 0.837858 1.250622 0.974672
N -1.494714 -0.229961 0.796935
C 1.042230 -2.764556 0.132268
C 1.794237 2.178304 0.320587
C -2.710038 0.303152 0.142880
C 2.467429 -2.956158 -0.447592
C 0.655007 -3.943361 1.058972
C 1.082738 3.432900 -0.249368
C 2.920041 2.574660 1.307106
C -3.803759 -0.790460 0.066642
C -3.245734 1.571030 0.858468
C 2.614238 -4.321150 -1.162412
C 0.798046 -5.304613 0.335163
C 2.088811 4.413150 -0.897827
C 3.924873 3.554980 0.653510
C -5.095569 -0.259956 -0.601200
C -4.530046 2.103196 0.176958
C 2.225049 -5.494642 -0.232456
C 3.210695 4.807884 0.092107
C -5.622425 1.009745 0.109722
H 0.333435 -2.731894 -0.721419
H 2.239625 1.625408 -0.531334
H -2.424122 0.576435 -0.895748
H 3.201808 -2.895547 0.385418
H 2.683752 -2.125815 -1.145837
H -0.380878 -3.796972 1.420702
H 1.313935 -3.927429 1.952507
H 0.548785 3.946290 0.580244
H 0.325012 3.106497 -0.986389
H 3.433528 1.660338 1.660357
H 2.464247 3.054916 2.198885
H -4.040528 -1.134188 1.097414
H -3.409464 -1.661125 -0.491233
H -2.456979 2.348552 0.861772
H -3.460818 1.317888 1.917380
H 1.689121 -1.208003 1.459665
H 0.214792 1.679727 1.669181
H -1.608863 -1.001062 1.461440
H 3.652209 -4.445264 -1.527300
H 1.959428 -4.332049 -2.057983
H 0.066256 -5.354265 -0.497983
H 0.546584 -6.129281 1.030065
H 1.558076 5.315204 -1.259140
H 2.539725 3.931045 -1.789413
H 4.453336 3.037460 -0.173826
H 4.696830 3.849419 1.390751
H -5.870163 -1.051067 -0.602403
H -4.880807 -0.020075 -1.662667
H -4.285577 2.438032 -0.852372
H -4.907055 2.991151 0.720388
H 2.293546 -6.454843 -0.779735
H 2.947268 -5.551655 0.608772
H 3.943113 5.473549 -0.404616
H 2.770549 5.384238 0.932717
H -6.518292 1.395136 -0.414564
H -5.940129 0.747688 1.140493


