%chk=000127772.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127772

0 1
 S  -0.7389000       3.656300     -0.4762000    
 N    2.678600      0.4876000      0.3053000    
 N   -3.826200      0.1305000     -3.5599999E-02
 N    1.675300       2.602200     -0.1093000    
 N  -0.2061000       1.177200      2.6699999E-02
 N   -3.239500      -1.966700      0.3999000    
 N    3.946600       2.481800     -1.6200000E-02
 C    2.839300      -2.407500     -0.3491000    
 C    3.607300      -1.723800      0.7861000    
 C    2.589800      -3.883600     -3.8600001E-02
 C    3.922500     -0.2639000      0.4804000    
 C    1.801100      -4.560600      -1.148200    
 C   -2.468100      0.1292000      6.2199999E-02
 C   -1.577200       1.294100     -9.2299998E-02
 C    2.770900       1.759800      8.1799999E-02
 C   0.3273000       2.357300     -0.1572000    
 C   -4.247200      -1.153000      0.1752000    
 C   -2.124500      -1.169400      0.3310000    
 C   -2.052800       2.559600     -0.3644000    
 C   -5.678200      -1.507200      0.1386000    
 H    3.408100      -2.320400      -1.282800    
 H    1.877800      -1.904900     -0.5079000    
 H    3.018300      -1.784700       1.709700    
 H    4.547500      -2.258300      0.9668000    
 H    3.545800      -4.403500      9.3099996E-02
 H    2.036400      -3.977700      0.9031000    
 H    4.535200     -0.2088000     -0.4275000    
 H    4.500600      0.1452000       1.317700    
 H    1.635400      -5.615200     -0.9064000    
 H    2.340400      -4.510600      -2.099500    
 H   0.8240000      -4.085100      -1.281300    
 H   -4.419700      0.9270000     -0.2278000    
 H    1.926600       3.577300     -0.2623000    
 H   -1.136600      -1.582800      0.4791000    
 H   -3.070100       2.899300     -0.5008000    
 H   -5.817200      -2.575900      0.3295000    
 H   -6.234700     -0.9522000      0.9003000    
 H   -6.109100      -1.279800     -0.8416000    
 H    4.857300       2.048700      8.6099997E-02
 H    3.938900       3.480000     -0.1961000    


%chk=000127772-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127772

0 1
S -0.618676 3.525478 1.137687
N 2.998797 0.757236 0.592497
N -3.489131 -0.209093 -0.066103
N 1.861790 2.775452 0.049979
N -0.026206 1.288085 -0.232826
N -2.769985 -1.970473 -1.279415
N 3.962099 2.416402 -0.908163
C 2.459396 -2.181512 0.061312
C 3.654428 -1.610079 0.854008
C 1.990257 -3.555168 0.591465
C 4.089045 -0.214571 0.361547
C 0.823829 -4.153174 -0.225186
C -2.132599 0.041010 -0.343909
C -1.397145 1.217700 0.093005
C 2.972419 1.873389 -0.068288
C 0.541536 2.386132 0.212852
C -3.837039 -1.430936 -0.645921
C -1.715043 -1.067384 -1.095716
C -1.903651 2.315032 0.785346
C -5.206569 -2.030815 -0.558260
H 2.740314 -2.279818 -1.009775
H 1.626582 -1.452677 0.106123
H 3.380670 -1.528772 1.924180
H 4.519337 -2.302684 0.785795
H 2.846440 -4.262364 0.587394
H 1.682584 -3.446074 1.651755
H 4.373177 -0.278441 -0.717871
H 4.998285 0.100148 0.921857
H 0.510493 -5.135967 0.173908
H 1.114228 -4.297019 -1.283641
H -0.058767 -3.487673 -0.209962
H -4.106825 0.389374 0.480028
H 2.090754 3.760090 0.195292
H -0.724752 -1.245741 -1.505031
H -2.923568 2.523619 1.101407
H -5.199171 -2.988106 -1.101351
H -5.508965 -2.230265 0.487350
H -5.976993 -1.381050 -1.015180
H 4.867566 1.955542 -0.961991
H 3.695960 3.032665 -1.674699


