%chk=000045270.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045270

0 1
 O   0.9225000     -0.2346000       1.465100    
 N    3.329300      7.1400002E-02  0.1511000    
 N  -0.1262000     -0.5541000     -0.6110000    
 C    2.257200     -0.6864000     -0.4934000    
 C   -1.499000     -0.4081000     -0.2996000    
 C    3.017200       1.500100      0.1501000    
 C    4.604300     -0.1738000     -0.5219000    
 C   -2.086500      0.8465000     -0.3696000    
 C   -2.235000      -1.524900      6.8300001E-02
 C   0.9574000     -0.4637000      0.2603000    
 C   -3.440400      0.9874000     -6.4800002E-02
 C   -3.588900      -1.383900      0.3729000    
 C   -4.191500     -0.1279000      0.3065000    
 C    4.113700       2.308100      0.8130000    
 C    4.980300      -1.640500     -0.4811000    
 C   -1.286000       2.047200     -0.7673000    
 C   -1.617800      -2.883900      0.1480000    
 C   -4.110800       2.320900     -0.1264000    
 H    2.149500     -0.4044000      -1.548300    
 H    2.424900      -1.767400     -0.4397000    
 H    2.861700       1.875100     -0.8702000    
 H    2.100700       1.717600      0.7069000    
 H    4.592600      0.1774000      -1.561500    
 H    5.420500      0.3451000     -9.3000000E-03
 H   4.7600001E-02 -0.9403000      -1.536600    
 H   -4.188900      -2.242000      0.6643000    
 H   -5.247600     -3.5799999E-02  0.5462000    
 H    4.409600       1.880500       1.777200    
 H    5.000600       2.414300      0.1806000    
 H    3.752200       3.324500       1.007600    
 H    4.884200      -2.056900      0.5276000    
 H    4.385300      -2.245300      -1.172200    
 H    6.026600      -1.761100     -0.7844000    
 H  -0.3876000       1.789900      -1.337200    
 H   -1.856700       2.714400      -1.421500    
 H  -0.9759000       2.602100      0.1242000    
 H   -1.158600      -3.155500     -0.8084000    
 H  -0.8581000      -2.912600      0.9358000    
 H   -2.360000      -3.655700      0.3794000    
 H   -4.202700       2.656200      -1.164400    
 H   -5.121100       2.283700      0.2964000    
 H   -3.555800       3.066400      0.4526000    


%chk=000045270-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045270

0 1
O 0.772151 0.088304 1.387558
N 3.355445 0.150449 -0.124141
N -0.131828 -0.592894 -0.665950
C 2.294166 -0.844395 -0.326236
C -1.533872 -0.417401 -0.382324
C 3.142972 1.387387 -0.918766
C 4.719577 -0.421663 -0.247957
C -2.037327 0.849550 0.031496
C -2.385537 -1.547126 -0.566172
C 0.924163 -0.385021 0.229161
C -3.430051 0.968292 0.327425
C -3.762381 -1.390078 -0.299004
C -4.272182 -0.155466 0.155748
C 3.884981 2.609101 -0.344924
C 5.100548 -1.346177 0.924655
C -1.117876 2.049685 0.135008
C -1.826858 -2.886909 -1.013036
C -4.022688 2.281895 0.811004
H 2.184465 -1.142626 -1.406745
H 2.562020 -1.761041 0.230832
H 3.423844 1.238804 -1.994569
H 2.058805 1.606437 -0.903357
H 4.850442 -0.967921 -1.219317
H 5.430254 0.423216 -0.267537
H 0.105460 -1.070369 -1.540005
H -4.435139 -2.246074 -0.427350
H -5.341471 -0.060999 0.379190
H 3.588471 2.763030 0.706557
H 4.982910 2.490674 -0.380558
H 3.630855 3.516494 -0.923813
H 4.968969 -0.812916 1.881536
H 4.484702 -2.263284 0.958266
H 6.156281 -1.662387 0.833457
H -0.334603 2.010928 -0.643557
H -1.669564 2.997296 0.022772
H -0.592926 2.056713 1.108106
H -1.440186 -2.858053 -2.052450
H -0.993072 -3.214205 -0.363920
H -2.608541 -3.664272 -0.981787
H -3.956507 3.073676 0.039638
H -5.088264 2.158219 1.069194
H -3.497807 2.661129 1.707176


