%chk=000045952.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045952

0 1
 O   -2.439700      -1.786600     -0.4093000    
 O  -5.8400001E-02  -1.245300      0.4971000    
 O    5.831800      -1.916500      8.2300000E-02
 O    3.856300      -2.806800      0.4341000    
 O   -6.307000     -0.5399000     -0.3379000    
 O   -4.847300      -2.135700     -0.7142000    
 N   0.6115000      0.9519000      1.8500000E-02
 N    4.584800      -1.817600      0.1788000    
 N   -5.127100     -0.9620000     -0.3734000    
 C    2.019200      0.8353000     -8.8399999E-02
 C    2.790100       1.950700     -0.3710000    
 C   -1.720100      0.3723000      0.3138000    
 C    2.594500     -0.4117000      9.5600002E-02
 C  -0.3266000     -5.0999999E-02  0.2950000    
 C    4.174700       1.815900     -0.4726000    
 C    3.979000     -0.5466000     -6.0000001E-03
 C   -2.743000     -0.5075000     -4.0700000E-02
 C    4.769100      0.5674000     -0.2902000    
 C    2.180700       3.300000     -0.5723000    
 C   -2.024800       1.679500      0.6936000    
 C   -4.070400     -7.9899997E-02 -1.5500000E-02
 C   -3.352300       2.106900      0.7187000    
 C   -4.375200       1.227200      0.3641000    
 H   0.2546000       1.880600     -0.1796000    
 H    2.025800      -1.299900      0.3162000    
 H    4.805200       2.673200     -0.6937000    
 H    5.850600      0.4999000     -0.3769000    
 H    1.633600       3.614100      0.3229000    
 H    2.941800       4.063800     -0.7673000    
 H    1.503700       3.292500      -1.432900    
 H   -1.268000       2.388200       1.017300    
 H   -3.590500       3.122000       1.023400    
 H   -5.396600       1.597500      0.3984000    
 H   -1.483800      -1.895900     -0.5313000    


%chk=000045952-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045952

0 1
O -2.481008 -1.866542 0.069625
O -0.069995 -1.243319 0.061478
O 5.992043 -1.979349 -0.112752
O 3.932806 -2.951878 0.009298
O -6.356377 -0.762883 0.671212
O -5.117390 -2.179809 -0.621534
N 0.654089 0.971962 -0.051138
N 4.702574 -1.920873 -0.067359
N -5.267422 -1.095644 0.050682
C 2.065802 0.786997 -0.095215
C 2.873051 1.970005 -0.181143
C -1.761750 0.480409 0.073654
C 2.666405 -0.494422 -0.057602
C -0.345223 0.019674 0.030815
C 4.278166 1.825173 -0.227358
C 4.070600 -0.573954 -0.106481
C -2.787140 -0.543447 0.064328
C 4.899560 0.561671 -0.191153
C 2.244324 3.351616 -0.221360
C -2.145962 1.845639 0.133790
C -4.153201 -0.119678 0.096265
C -3.497184 2.230199 0.188319
C -4.502025 1.239698 0.176928
H 0.348222 1.943988 -0.098940
H 2.060379 -1.398576 0.005938
H 4.897636 2.725836 -0.292873
H 5.984958 0.444340 -0.226471
H 1.655411 3.567933 0.692856
H 3.020041 4.130338 -0.291513
H 1.579670 3.482511 -1.099143
H -1.392885 2.643060 0.157458
H -3.769788 3.287402 0.242160
H -5.562504 1.500637 0.233539
H -1.439684 -1.942714 0.080289


