%chk=000056620.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056620

0 1
 S   0.8408000      -1.481800      -1.488000    
 N   -2.477800       2.412200      0.2634000    
 C  -0.7113000       1.144700     -0.9204000    
 C   -1.310000     -0.1309000     -0.3557000    
 C   -1.779300       2.256400      -1.011000    
 C   0.4805000       1.595300     -5.0799999E-02
 C   -2.505600     -8.0100000E-02  0.3902000    
 C   -3.266300       1.213400      0.5593000    
 C  -0.6562000      -1.362000     -0.5309000    
 C    1.745600      0.7579000      4.4700000E-02
 C    1.982400     -0.5178000     -0.5034000    
 C   -3.038200      -1.258400      0.9303000    
 C   -1.201700      -2.528800      1.7500000E-02
 C   -2.386500      -2.475200      0.7481000    
 C    2.785000       1.360300      0.7934000    
 C    3.237700      -1.131200     -0.3056000    
 C    4.016800      0.7375000      0.9861000    
 C    4.244200     -0.5116000      0.4328000    
 H  -0.3730000      0.9759000      -1.950400    
 H   -1.304600       3.206800      -1.280900    
 H   -2.499600       2.030800      -1.808800    
 H   0.1295000       1.747800      0.9802000    
 H   0.7945000       2.580800     -0.4239000    
 H   -4.148700       1.185400     -9.2299998E-02
 H   -3.619200       1.292700       1.593800    
 H   -3.100600       3.218000      0.2173000    
 H   -3.968500      -1.232800       1.492300    
 H  -0.7133000      -3.491200     -0.1176000    
 H   -2.805700      -3.384000       1.169800    
 H    2.631300       2.342900       1.237500    
 H    3.449300      -2.113500     -0.7262000    
 H    4.792200       1.230100       1.564800    
 H    5.200300      -1.006600      0.5732000    


%chk=000056620-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056620

0 1
S 0.849322 -1.479317 -1.548166
N -2.431205 2.385327 0.278912
C -0.713983 1.125737 -0.956325
C -1.323985 -0.130930 -0.345519
C -1.791329 2.232952 -1.044882
C 0.501077 1.652802 -0.144790
C -2.528659 -0.087747 0.409554
C -3.268325 1.227519 0.639366
C -0.696324 -1.389113 -0.541279
C 1.756011 0.792543 0.042122
C 2.023330 -0.497506 -0.492539
C -3.081875 -1.287835 0.920260
C -1.243581 -2.583432 -0.031647
C -2.451987 -2.530052 0.700948
C 2.788693 1.389662 0.821569
C 3.273002 -1.132747 -0.273723
C 4.034085 0.769728 1.039607
C 4.284947 -0.503141 0.478177
H -0.373613 0.875708 -1.981215
H -1.324598 3.194127 -1.328368
H -2.524044 1.963186 -1.845604
H 0.117164 1.945240 0.852066
H 0.832621 2.595114 -0.630293
H -4.222980 1.184812 0.052175
H -3.552285 1.307824 1.706095
H -2.917906 3.280452 0.399040
H -4.014483 -1.245087 1.497273
H -0.725948 -3.533433 -0.196248
H -2.887314 -3.450092 1.105715
H 2.597472 2.379563 1.256022
H 3.437173 -2.133309 -0.687790
H 4.798977 1.271665 1.642273
H 5.244548 -1.007216 0.636013


