%chk=000033338.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033338

0 1
 O   -1.813100      -2.416400     -0.2435000    
 O   0.5383000      0.4940000     -0.4008000    
 O    3.993400     -0.3086000     -0.8372000    
 O    1.972000       1.312400       1.747100    
 O    1.947400      0.5624000      -2.216800    
 N   -3.635600      0.3707000      0.9425000    
 C   -2.355300     -0.1255000      0.3500000    
 C   -2.725400      -1.358100     -0.4775000    
 C   -4.725200     -0.3612000      0.2790000    
 C   -4.114800      -1.722100      1.6899999E-02
 C   -1.794700       1.023900     -0.4315000    
 C   -3.686500       1.823000      0.6675000    
 C   -2.545400       2.113600     -0.2486000    
 C  -0.5485000      0.9137000      -1.231800    
 C    2.823300     -8.9000002E-02 -3.2499999E-02
 C    2.477200      -1.461000      0.6205000    
 C    3.148800       1.043100      0.9752000    
 C    1.742900      0.3562000      -1.026000    
 C    3.498400      -1.961700       1.646000    
 C    2.223400      -2.563900     -0.4208000    
 C    3.579400       2.354500      0.3223000    
 H   -1.667900     -0.3818000       1.166000    
 H   -2.756300      -1.148900      -1.553700    
 H   -5.014800      9.6000001E-02 -0.6762000    
 H   -5.610200     -0.4250000      0.9188000    
 H   -4.064300      -2.325200      0.9321000    
 H   -4.675100      -2.297400     -0.7267000    
 H   -3.550700       2.371700       1.605800    
 H   -4.637800       2.142600      0.2280000    
 H   -2.347300       3.085000     -0.6778000    
 H  -0.2974000       1.881700      -1.682300    
 H  -0.6913000      0.1843000      -2.037400    
 H  -0.9314000      -2.104900     -0.5102000    
 H    1.529100      -1.342100       1.162900    
 H    3.953200      0.7440000       1.655500    
 H    4.495900      -2.050300       1.203600    
 H    3.213000      -2.947000       2.030600    
 H    3.562300      -1.290000       2.507000    
 H    1.836500      -3.464500      6.9899999E-02
 H    3.141800      -2.850500     -0.9431000    
 H    1.480900      -2.262400      -1.165300    
 H    4.475500       2.226300     -0.2915000    
 H    3.796000       3.102500       1.093400    
 H    2.781700       2.778000     -0.2969000    
 H    3.767400     -0.9081000      -1.567300    
 H    1.812300      0.5433000       2.319200    


%chk=000033338-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033338

0 1
O -1.542903 -1.778924 1.189820
O 0.407149 -0.554635 -1.021916
O 3.816909 0.494386 -0.225197
O 1.071873 -0.885240 1.929122
O 1.745891 1.190997 -1.806271
N -3.154836 1.500848 0.514469
C -2.050072 0.518062 0.258673
C -2.582064 -0.867358 0.743205
C -4.273508 0.804324 1.215816
C -3.603527 -0.446365 1.833260
C -1.729457 0.686332 -1.218897
C -3.461767 2.244788 -0.738302
C -2.501308 1.661225 -1.765903
C -0.736164 -0.188336 -1.931463
C 2.593125 -0.289018 -0.025738
C 2.905636 -1.806163 -0.261162
C 2.141980 0.019121 1.453222
C 1.547385 0.209058 -1.044618
C 3.964524 -2.326074 0.740327
C 3.392709 -2.041450 -1.710276
C 1.651520 1.452486 1.662382
H -1.154777 0.753170 0.875672
H -3.116128 -1.381279 -0.080971
H -5.075846 0.500500 0.499210
H -4.738498 1.453223 1.980659
H -3.055424 -0.183817 2.756608
H -4.323828 -1.247129 2.069093
H -3.309400 3.338732 -0.622626
H -4.524478 2.101704 -1.044214
H -2.462863 2.003849 -2.804757
H -0.336846 0.285040 -2.845118
H -1.163414 -1.178870 -2.164502
H -0.700973 -1.278941 1.404168
H 1.953497 -2.356360 -0.126269
H 3.051936 -0.141060 2.065042
H 4.879189 -1.710564 0.680149
H 4.230756 -3.370178 0.495744
H 3.619401 -2.317209 1.792431
H 3.593511 -3.115279 -1.874324
H 4.325690 -1.481217 -1.897856
H 2.641602 -1.726301 -2.458072
H 2.436827 2.163534 1.356711
H 1.422538 1.615276 2.728734
H 0.738889 1.666117 1.080019
H 3.626471 1.162532 -0.942087
H 1.440175 -1.796236 2.050404


