%chk=000046478.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046478

0 1
 O    1.427100     -0.3824000     -5.4400001E-02
 O    2.676000      -2.294900      0.2329000    
 N   -3.397500     -2.7200000E-02 -0.3301000    
 N    6.137700      6.7900002E-02  8.3999999E-02
 C   -4.685900     -0.7091000     -0.5583000    
 C   -5.779400      0.3357000     -0.8525000    
 C   -3.444500      0.9601000      0.7542000    
 C   -5.877700       1.401000      0.2354000    
 C   -4.511200       2.023500      0.4924000    
 C   -2.282800     -0.9529000     -0.1492000    
 C   -5.127000      -1.667000      0.5593000    
 C  -0.9579000     -0.1973000     -0.1736000    
 C   0.2262000      -1.140400     -8.9999996E-03
 C    2.585200      -1.086700      7.9599999E-02
 C    3.761800     -0.1832000      1.6500000E-02
 C    3.579200       1.167500     -0.1583000    
 C    5.025000     -0.6984000      0.1328000    
 C    4.700000       1.988700     -0.2136000    
 C    5.945700       1.395000     -8.8200003E-02
 H   -4.586600      -1.311800      -1.471200    
 H   -6.752600     -0.1537000     -0.9780000    
 H   -5.554500      0.8275000      -1.808500    
 H   -2.515600       1.526900      0.8459000    
 H   -3.623600      0.4803000       1.724000    
 H   -6.263500      0.9588000       1.161100    
 H   -6.589700       2.177200     -6.6399999E-02
 H   -4.219600       2.627500     -0.3766000    
 H   -4.572300       2.706400       1.347500    
 H   -2.368600      -1.506000      0.7942000    
 H   -2.277400      -1.689200     -0.9626000    
 H   -6.104400      -2.102500      0.3228000    
 H   -4.426600      -2.500900      0.6698000    
 H   -5.215600      -1.168900       1.529200    
 H  -0.8494000      0.3658000      -1.109400    
 H  -0.8661000      0.5324000      0.6360000    
 H   0.2322000      -1.879400     -0.8189000    
 H   0.1603000      -1.663100      0.9528000    
 H    2.603300       1.631600     -0.2563000    
 H    5.215100      -1.757200      0.2718000    
 H    4.602100       3.059600     -0.3504000    
 H    6.851200       1.991600     -0.1246000    


%chk=000046478-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046478

0 1
O 1.484293 -0.341479 -0.036821
O 2.729948 -2.242168 0.492846
N -3.441813 0.011497 -0.108004
N 6.312487 0.032096 0.028844
C -4.678469 -0.652983 -0.627884
C -5.714762 0.438191 -1.006388
C -3.686887 0.897278 1.057377
C -6.016776 1.393319 0.171841
C -4.702096 2.004109 0.706337
C -2.295690 -0.906932 0.078018
C -5.282790 -1.731415 0.319826
C -0.937536 -0.186970 -0.101929
C 0.233686 -1.141541 0.128692
C 2.681898 -1.027319 0.179036
C 3.867138 -0.141007 -0.009425
C 3.754436 1.226607 -0.366991
C 5.164652 -0.688541 0.176268
C 4.934183 1.983718 -0.522593
C 6.182497 1.349914 -0.316219
H -4.377673 -1.166820 -1.564008
H -6.643554 -0.047985 -1.362653
H -5.301707 1.027634 -1.847868
H -2.727716 1.360253 1.352738
H -4.053060 0.325367 1.949335
H -6.531651 0.845765 0.986699
H -6.708092 2.192251 -0.157200
H -4.258455 2.657894 -0.069573
H -4.894235 2.626122 1.601999
H -2.314969 -1.413787 1.077501
H -2.376346 -1.708832 -0.682563
H -6.142188 -2.227372 -0.168194
H -4.538090 -2.512014 0.560835
H -5.639710 -1.298229 1.270816
H -0.890206 0.236221 -1.121019
H -0.852614 0.657370 0.606780
H 0.255115 -1.972976 -0.600595
H 0.231191 -1.577280 1.145443
H 2.765235 1.667825 -0.515584
H 5.273759 -1.742683 0.452558
H 4.894165 3.041964 -0.798050
H 7.120498 1.905738 -0.428128


