%chk=000046039.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046039

1 1
 O   -1.985400     -4.1099999E-02 -0.9497000    
 O   -2.645100     -2.3200000E-02   1.279700    
 N    2.603100      0.5716000      0.4877000    
 N   -4.061700      0.7552000     -0.3844000    
 C    2.570100       1.882500     -0.2952000    
 C    1.429300     -0.3442000      0.1326000    
 C    3.906100     -0.1489000      0.1535000    
 C    2.533200      0.9052000       1.975300    
 C    2.665600       1.581800      -1.775000    
 C   0.2744000      0.2568000     -0.2420000    
 C    1.644000      -1.678600      0.2229000    
 C  -0.7954000     -0.5779000     -0.5655000    
 C   0.5741000      -2.513200     -0.1005000    
 C  -0.6455000      -1.962800     -0.4946000    
 C   -2.888700      0.2141000      0.1004000    
 C   -5.178300       1.122700      0.4548000    
 H    1.689800       2.470600     -2.0199999E-02
 H    3.442200       2.470900      1.8600000E-02
 H    3.850500     -0.6229000     -0.8320000    
 H    4.715400      0.5902000      0.1617000    
 H    4.133300     -0.8779000      0.9385000    
 H    2.563400     -2.7300000E-02   2.547700    
 H    3.398100       1.526500       2.227100    
 H    1.603500       1.447900       2.173400    
 H    2.514200       2.515400      -2.329800    
 H    3.661100       1.228300      -2.062000    
 H    1.929600      0.8731000      -2.159300    
 H   9.9699996E-02   1.322800     -0.2790000    
 H    2.555400      -2.156400      0.5550000    
 H   0.6874000      -3.591700     -3.7999999E-02
 H   -1.475200      -2.618800     -0.7436000    
 H   -4.144500      0.9031000      -1.385500    
 H   -6.048900      0.5444000      0.1363000    
 H   -5.378500       2.187000      0.3091000    
 H   -4.967300      0.9257000       1.508500    


%chk=000046039-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046039

1 1
O -2.243864 -0.703809 -0.271481
O -2.127500 1.546225 0.550762
N 2.541438 0.496867 0.554021
N -4.152085 0.476033 0.007458
C 2.440919 1.826232 -0.267212
C 1.485561 -0.506487 0.082602
C 3.961976 -0.046036 0.438793
C 2.292426 0.825889 2.034753
C 2.661968 1.649125 -1.770193
C 0.141472 -0.081336 0.142245
C 1.846412 -1.790524 -0.366007
C -0.868847 -0.983135 -0.269732
C 0.813142 -2.672995 -0.769025
C -0.535366 -2.282510 -0.726155
C -2.803104 0.568912 0.145769
C -5.057529 1.586853 0.339423
H 1.437808 2.232706 -0.064229
H 3.188539 2.504788 0.180530
H 4.175294 -0.324149 -0.601211
H 4.656387 0.745593 0.758962
H 4.072010 -0.920385 1.096527
H 2.343411 -0.107431 2.614754
H 3.064185 1.534203 2.374776
H 1.296008 1.274242 2.146750
H 2.468250 2.620766 -2.257530
H 3.694983 1.361482 -2.026398
H 1.961866 0.917478 -2.206461
H -0.166397 0.907668 0.487526
H 2.881124 -2.133626 -0.415942
H 1.073316 -3.675735 -1.120188
H -1.335740 -2.959096 -1.036847
H -4.532925 -0.405573 -0.341227
H -5.761974 1.290100 1.135695
H -5.629234 1.902544 -0.550486
H -4.454928 2.436022 0.695478


