%chk=000022664.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022664

0 1
 O    2.361300       3.660900      0.4238000    
 O   -4.957200      0.5809000      0.5515000    
 N    2.154800      -2.601600     -0.3818000    
 C   0.9931000      -1.797900      2.2200000E-02
 C  -0.1972000      -2.054100     -0.9422000    
 C    1.361800     -0.3281000      0.1302000    
 C   -1.455200      -1.357500     -0.5473000    
 C    3.229300      -2.464300      0.5854000    
 C    1.288100      0.2917000       1.362100    
 C    1.760100      0.3475000      -1.006600    
 C   -2.369000      -1.991800      0.2941000    
 C   -1.718000     -7.1500003E-02  -1.019400    
 C    1.626300       1.641200       1.461300    
 C    2.098400       1.697000     -0.9076000    
 C    4.436700      -3.295500      0.1861000    
 C    2.031700       2.344000      0.3265000    
 C   -3.545800      -1.340300      0.6632000    
 C   -2.894700      0.5802000     -0.6503000    
 C   -3.808700     -5.4200001E-02  0.1912000    
 C    2.767300       4.318900     -0.7754000    
 C   -5.163100       1.894200      3.3100002E-02
 H   0.6692000      -2.155200       1.010900    
 H   6.6600002E-02  -1.773000      -1.971000    
 H  -0.3937000      -3.134700     -0.9922000    
 H    1.883500      -3.581400     -0.4602000    
 H    3.581900      -1.431100      0.6696000    
 H    2.897700      -2.788200       1.579400    
 H   0.9740000     -0.2448000       2.252300    
 H    1.822800     -0.1435000      -1.973000    
 H   -2.174900      -2.992500      0.6708000    
 H   -1.029100      0.4312000      -1.691700    
 H    1.572000       2.139900       2.425100    
 H    2.405600       2.182000      -1.827800    
 H    4.183600      -4.359500      0.1286000    
 H    4.827200      -2.982800     -0.7883000    
 H    5.237500      -3.179800      0.9237000    
 H   -4.253700      -1.839300       1.319400    
 H   -3.037900       1.575700      -1.056300    
 H    1.959400       4.342600      -1.514600    
 H    3.687900       3.885200      -1.180400    
 H    2.991600       5.358200     -0.5138000    
 H   -5.243500       1.887500      -1.059200    
 H   -4.397200       2.591900      0.3887000    
 H   -6.123400       2.248400      0.4220000    


%chk=000022664-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022664

0 1
O 2.394421 3.925692 0.209250
O -5.186936 0.285507 0.764762
N 2.152045 -2.536873 -0.362298
C 1.007081 -1.682932 0.034632
C -0.150082 -1.919034 -0.996450
C 1.418681 -0.209038 0.084931
C -1.477188 -1.313274 -0.573303
C 3.246631 -2.643896 0.627537
C 0.900981 0.664252 1.074670
C 2.292159 0.325749 -0.890381
C -2.339556 -2.013158 0.314702
C -1.886632 -0.034997 -1.019579
C 1.239818 2.030802 1.090361
C 2.647464 1.693219 -0.891393
C 4.351461 -3.586023 0.119523
C 2.114854 2.550261 0.104768
C -3.560258 -1.460253 0.742043
C -3.109916 0.540672 -0.604183
C -3.949501 -0.176863 0.282406
C 3.307007 4.502410 -0.778255
C -5.629070 1.608165 0.321269
H 0.612196 -1.962007 1.045156
H 0.179987 -1.516820 -1.971655
H -0.269700 -3.016290 -1.118515
H 1.834051 -3.466849 -0.669685
H 3.662846 -1.631727 0.787712
H 2.880856 -2.997498 1.624690
H 0.220029 0.271350 1.839441
H 2.711174 -0.356084 -1.639650
H -2.052594 -3.011158 0.669892
H -1.235186 0.529177 -1.697211
H 0.844043 2.709580 1.852090
H 3.332147 2.072597 -1.656646
H 3.963470 -4.611109 -0.039804
H 4.756641 -3.221323 -0.840909
H 5.178323 -3.650610 0.849509
H -4.228490 -1.998924 1.421092
H -3.389487 1.532538 -0.972007
H 2.905573 4.405535 -1.806412
H 4.307950 4.030050 -0.728454
H 3.386209 5.566597 -0.510853
H -5.758904 1.643528 -0.778404
H -4.917822 2.397820 0.633922
H -6.599672 1.767736 0.813789


