%chk=000029864.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029864

0 1
 S   -3.958200       1.013900     -3.3000000E-02
 N   -6.061400     -0.9094000     -2.9000000E-03
 C    1.286900      0.4582000      7.1500003E-02
 C    2.519900     -0.4501000      6.3199997E-02
 C  -3.5300002E-02 -0.3103000      1.2300000E-02
 C    3.842500      0.3192000      4.7899999E-02
 C   -1.232400      0.6454000       0.000000    
 C    5.035800     -0.6339000     -3.3199999E-02
 C   -2.547400     -0.1282000     -2.3300000E-02
 C    6.352200      0.1250000     -8.7300003E-02
 C   -5.202600     -0.1297000     -1.5200000E-02
 H    1.307200       1.080300      0.9748000    
 H    1.342200       1.142100     -0.7848000    
 H    2.490100      -1.105600      0.9422000    
 H    2.473200      -1.101400     -0.8186000    
 H  -0.1051000     -0.9810000      0.8772000    
 H  -5.5700000E-02 -0.9377000     -0.8870000    
 H    3.919100      0.9361000      0.9513000    
 H    3.858500       1.000400     -0.8115000    
 H   -1.162500       1.298700     -0.8790000    
 H   -1.189800       1.286600      0.8895000    
 H    5.038800      -1.301000      0.8367000    
 H    4.949900      -1.264600     -0.9258000    
 H   -2.594500     -0.7626000     -0.9154000    
 H   -2.616600     -0.7753000      0.8583000    
 H    6.484800      0.7440000      0.8058000    
 H    6.394000      0.7761000     -0.9663000    
 H    7.191400     -0.5753000     -0.1430000    


%chk=000029864-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029864

0 1
S -4.047712 1.061098 0.042410
N -6.324678 -0.800162 0.014111
C 1.301705 0.452596 0.007112
C 2.539266 -0.472570 -0.011883
C -0.034504 -0.325089 0.000144
C 3.877317 0.300590 -0.004809
C -1.266492 0.614061 0.021097
C 5.116011 -0.623907 -0.022498
C -2.574837 -0.186960 0.010401
C 6.448818 0.155283 -0.014643
C -5.380268 -0.060071 0.024915
H 1.343569 1.102870 0.905410
H 1.336743 1.130168 -0.871049
H 2.504387 -1.151389 0.865784
H 2.497846 -1.123434 -0.910231
H -0.068970 -1.002071 0.878290
H -0.076597 -0.972701 -0.899618
H 3.921021 0.952703 0.892630
H 3.915266 0.978633 -0.883082
H -1.229621 1.287183 -0.857875
H -1.224164 1.254358 0.924073
H 5.077192 -1.301742 0.854653
H 5.071919 -1.274710 -0.919665
H -2.690806 -0.788829 -0.904765
H -2.683007 -0.825662 0.901232
H 6.532156 0.789222 0.888318
H 6.525640 0.818263 -0.897099
H 7.317800 -0.527832 -0.028964


