%chk=000048913.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048913

0 1
 O   9.6600004E-02  -1.059600      7.5599998E-02
 O   8.6199999E-02  0.7282000       1.525600    
 N  -0.9244000      -3.756500      1.5600000E-02
 C   -1.267400      -1.345600      0.4034000    
 C   -2.103600     -0.1372000      4.3400001E-02
 C   -1.741300      -2.599100     -0.3423000    
 C   -1.720700      0.6558000      -1.024800    
 C   -3.234000      0.1493000      0.7893000    
 C   0.6728000      1.0300000E-02  0.7046000    
 C   -2.491700       1.769700      -1.357000    
 C   -4.005000       1.263300      0.4569000    
 C    2.053200      0.1963000      0.2875000    
 C   -3.633800       2.073500     -0.6163000    
 C    2.808200       1.240900      0.8209000    
 C    2.622800     -0.6701000     -0.6458000    
 C    4.132600       1.419300      0.4209000    
 C    3.947300     -0.4917000      -1.045500    
 C    4.702100      0.5531000     -0.5121000    
 H   -1.318800      -1.528800       1.485900    
 H   -1.662400      -2.448900      -1.425700    
 H   -2.790400      -2.813200     -0.1105000    
 H  -0.8544000      0.4288000      -1.639100    
 H   -3.531200     -0.4769000       1.625300    
 H   -2.206800       2.396800      -2.196800    
 H   -4.894800       1.499500       1.033100    
 H   5.0099999E-02  -3.571400     -0.2192000    
 H   -1.208300      -4.557200     -0.5473000    
 H   -4.235000       2.939800     -0.8760000    
 H    2.383800       1.927200       1.548900    
 H    2.073300      -1.496600      -1.087600    
 H    4.720500       2.232700      0.8360000    
 H    4.391400      -1.165800      -1.772100    
 H    5.733200      0.6920000     -0.8235000    


%chk=000048913-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048913

0 1
O 0.097745 -0.956115 -0.029147
O 0.373838 0.218920 1.971724
N -0.823568 -3.644295 0.163200
C -1.337847 -1.238409 0.346833
C -2.226504 -0.082143 -0.073448
C -1.664120 -2.563419 -0.364108
C -2.215029 0.398431 -1.408478
C -3.106321 0.509371 0.865357
C 0.837433 -0.185302 0.877619
C -3.076925 1.446683 -1.797638
C -3.974576 1.553535 0.475574
C 2.223577 0.078419 0.387093
C -3.963405 2.023677 -0.857904
C 3.102027 0.799181 1.237436
C 2.672337 -0.358835 -0.886302
C 4.418967 1.078161 0.819158
C 3.991043 -0.076372 -1.301315
C 4.866031 0.640874 -0.450873
H -1.369799 -1.388029 1.439986
H -1.579078 -2.399785 -1.465477
H -2.724539 -2.796891 -0.154535
H -1.514946 -0.032955 -2.133015
H -3.098734 0.160817 1.904691
H -3.057213 1.816231 -2.829198
H -4.648561 2.006438 1.211233
H 0.177903 -3.499785 0.011259
H -1.135371 -4.591116 -0.061949
H -4.631850 2.837846 -1.159956
H 2.730807 1.128949 2.213395
H 1.984567 -0.907727 -1.535501
H 5.095302 1.634320 1.477142
H 4.337502 -0.411769 -2.284994
H 5.889408 0.858995 -0.776561


