%chk=000004602.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004602

0 1
 O   -2.864600       2.169300     -0.5269000    
 O  -0.4920000       1.640600      0.5186000    
 O    5.792500      0.1325000     -9.2000002E-03
 N   0.2821000     -0.4881000     -9.3300000E-02
 C   -2.081700     -7.4000000E-03  0.1091000    
 C    1.689600     -0.3293000     -7.1099997E-02
 C  -0.7062000      0.4635000      0.1907000    
 C   -3.115300      0.8593000     -0.2466000    
 C   -2.359600      -1.344400      0.3936000    
 C    2.226300      0.9010000      0.2667000    
 C    2.496200      -1.408400     -0.3894000    
 C   -4.426600      0.3887000     -0.3180000    
 C    3.612200       1.057300      0.2869000    
 C    3.882200      -1.252200     -0.3692000    
 C   -3.670900      -1.814700      0.3224000    
 C    4.440300     -1.9300001E-02 -3.0900000E-02
 C   -4.704400     -0.9482000     -3.3300001E-02
 H  -1.6000001E-02  -1.413200     -0.3916000    
 H   -1.594300      -2.046300      0.7119000    
 H    1.654600       1.779800      0.5245000    
 H    2.072100      -2.372900     -0.6541000    
 H   -5.241800       1.052700     -0.5930000    
 H    4.035800       2.022400      0.5522000    
 H    4.522000      -2.094600     -0.6174000    
 H   -3.889200      -2.853500      0.5525000    
 H   -5.725600      -1.314200     -8.6499996E-02
 H   -3.700900       2.611800     -0.7520000    
 H    6.002800       1.047400      0.2455000    


%chk=000004602-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004602

0 1
O -2.797099 1.972700 -0.988687
O -0.486691 1.620554 0.925924
O 5.912261 -0.015390 -0.077338
N 0.257691 -0.330522 -0.158772
C -2.127127 -0.028768 0.174339
C 1.674291 -0.183074 -0.104489
C -0.729316 0.521833 0.346114
C -3.158222 0.742064 -0.430367
C -2.457559 -1.302749 0.701585
C 2.316424 0.923456 0.511087
C 2.466919 -1.203675 -0.699040
C -4.483189 0.245679 -0.492079
C 3.725318 0.993116 0.528804
C 3.870469 -1.130828 -0.681498
C -3.776818 -1.804869 0.644073
C 4.503843 -0.028285 -0.063385
C -4.790431 -1.021934 0.047219
H -0.085627 -1.151236 -0.664051
H -1.674400 -1.890587 1.194887
H 1.709478 1.711187 0.960050
H 1.982111 -2.063232 -1.179606
H -5.270262 0.846883 -0.965788
H 4.211523 1.853363 1.007348
H 4.485919 -1.911847 -1.136701
H -4.011577 -2.785726 1.068970
H -5.819321 -1.394385 -0.001013
H -3.587705 2.443830 -1.352435
H 6.258701 0.792043 0.376949


