%chk=000020979.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020979

0 1
 O    3.055500      -1.360400      -1.382000    
 N    3.380900     -0.4637000      0.7298000    
 N   -2.967600     -0.6421000      0.4391000    
 N   -4.898500      0.4954000      0.7702000    
 N   -2.897900       1.754300      0.6063000    
 N   -7.022200      0.5304000     -0.1935000    
 N   -5.231600      0.6437000      -1.606600    
 C    5.334300      0.8765000      0.1010000    
 C    4.837900     -0.4490000      0.6760000    
 C    6.862100      0.9214000      5.5399999E-02
 C    7.363700       2.223400     -0.5485000    
 C    2.616300     -0.9252000     -0.3208000    
 C    1.146200     -0.8492000     -0.1205000    
 C   0.3285000     -0.7393000      -1.226000    
 C   0.6455000     -0.8932000       1.164100    
 C   -1.583800     -0.7125000      0.2506000    
 C   -1.052100     -0.6701000      -1.038300    
 C  -0.7350000     -0.8241000       1.351700    
 C   -3.530100      0.5285000      0.5900000    
 C   -5.651900      0.5552000     -0.2979000    
 H    4.955800       1.707900      0.7088000    
 H    4.929300       1.016300     -0.9091000    
 H    5.185000      -1.291000      6.7400001E-02
 H    5.199200     -0.5874000       1.700100    
 H    7.241600      8.1600003E-02 -0.5382000    
 H    7.267700      0.8130000       1.068000    
 H    2.956200     -4.0600002E-02   1.547600    
 H    8.457900       2.234600     -0.5700000    
 H    7.002500       2.344800      -1.574800    
 H    7.026500       3.083500      3.8699999E-02
 H   0.7265000     -0.7000000      -2.235600    
 H    1.266200      -1.017100       2.045200    
 H   -1.705600     -0.5821000      -1.902400    
 H   -1.140800     -0.8663000       2.359200    
 H   -3.428100       2.608900      0.7385000    
 H   -1.895500       1.848700      0.4874000    
 H   -7.477600      0.4667000      0.7105000    
 H   -7.617200      0.5761000      -1.013300    
 H   -4.248500      0.6709000      -1.853700    
 H   -5.898500      0.6847000      -2.369700    


%chk=000020979-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020979

0 1
O 3.123485 -1.083849 -1.626339
N 3.387349 -0.323120 0.554752
N -3.115288 0.189742 -0.372449
N -5.206792 1.029126 0.482400
N -3.250549 2.000433 1.220307
N -7.312236 0.246779 -0.090761
N -5.412719 -0.747104 -1.118905
C 5.627946 0.784312 0.207126
C 4.846703 -0.507994 0.545932
C 7.156244 0.554657 0.194884
C 7.947756 1.835864 -0.145676
C 2.604953 -0.627247 -0.554290
C 1.127588 -0.387332 -0.425635
C 0.357195 -0.360121 -1.618999
C 0.450098 -0.223570 0.812262
C -1.713457 0.054083 -0.345588
C -1.029016 -0.144425 -1.582881
C -0.940429 -0.005181 0.858051
C -3.819984 1.022700 0.417041
C -5.940930 0.167683 -0.249710
H 5.379231 1.577720 0.942750
H 5.294967 1.147483 -0.784089
H 5.062232 -1.277481 -0.215953
H 5.167419 -0.896915 1.532725
H 7.398009 -0.236949 -0.542796
H 7.480325 0.170065 1.184159
H 2.964914 0.164506 1.344928
H 9.037200 1.648173 -0.154770
H 7.662134 2.221702 -1.142081
H 7.747822 2.634854 0.593258
H 0.881755 -0.518714 -2.567147
H 0.990476 -0.314862 1.763547
H -1.616581 -0.121638 -2.506747
H -1.447522 0.061712 1.827398
H -3.883555 2.627183 1.710596
H -2.249270 2.176962 1.206136
H -7.659740 0.945588 0.560716
H -7.960223 -0.344360 -0.602445
H -4.352300 -0.696410 -1.143112
H -5.982415 -1.390854 -1.663895


