%chk=000003042.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003042

0 1
 O   0.5781000     -0.1424000     -6.2000002E-03
 O  -0.3266000      -1.296500      -1.791200    
 N    4.194600      0.5096000     -0.3173000    
 C   -1.716800     -0.6328000      7.1599998E-02
 C   -2.002500      0.8610000      0.2143000    
 C   -2.856000      -1.311400     -0.7111000    
 C   -1.544000      -1.268300       1.463500    
 C   -2.105300       1.527100      -1.164400    
 C   -3.281700       1.092600       1.029800    
 C   -2.731400      -2.835200     -0.7445000    
 C   -1.429200      -2.792400       1.412700    
 C   -2.443400       3.011800      -1.049200    
 C   -3.618100       2.578000       1.141200    
 C   -2.593300      -3.420900      0.6558000    
 C   -3.710600       3.238500     -0.2308000    
 C  -0.4269000     -0.7442000     -0.7039000    
 C    1.865300     -0.1749000     -0.6305000    
 C    2.863700      0.5334000      0.2712000    
 C    4.824900     -0.7981000     -0.1204000    
 C    5.033200       1.565900      0.2546000    
 C    6.187100     -0.8574000     -0.7905000    
 C    5.239100       1.356800       1.745200    
 H   -1.184500       1.353700      0.7596000    
 H   -2.897500     -0.9809000      -1.754600    
 H   -3.837100      -1.105500     -0.2771000    
 H   -2.408100      -1.072700       2.104300    
 H  -0.6736000     -0.8622000       1.992700    
 H   -1.168700       1.441000      -1.725700    
 H   -2.891300       1.074000      -1.776600    
 H   -4.157900      0.6096000      0.5912000    
 H   -3.185800      0.7294000       2.055900    
 H   -1.877700      -3.147500      -1.355100    
 H   -3.620700      -3.259400      -1.226200    
 H   -1.397700      -3.192000       2.433100    
 H  -0.4840000      -3.076600      0.9346000    
 H   -1.605300       3.541100     -0.5792000    
 H   -2.570100       3.440800      -2.049800    
 H   -2.848100       3.083200       1.737500    
 H   -4.567000       2.704200       1.675100    
 H   -2.448300      -4.505100      0.5897000    
 H   -3.523400      -3.257300       1.214000    
 H   -4.573200       2.833000     -0.7736000    
 H   -3.885100       4.313700     -0.1114000    
 H    2.135400      -1.223500     -0.7905000    
 H    1.805700      0.3313000      -1.601900    
 H    2.826800      8.4299996E-02   1.272400    
 H    2.504900       1.564600      0.3943000    
 H    4.896200      -1.107200      0.9284000    
 H    4.220100      -1.568400     -0.6121000    
 H    5.995200       1.653100     -0.2614000    
 H    4.549800       2.538200      9.2299998E-02
 H    6.149200     -0.4843000      -1.819800    
 H    6.951700     -0.3012000     -0.2401000    
 H    6.528200      -1.897900     -0.8352000    
 H    5.796700       2.214000       2.142100    
 H    5.841800      0.4754000       1.980800    
 H    4.307100       1.315200       2.315600    


%chk=000003042-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003042

0 1
O 0.545759 -0.163372 0.080464
O -0.315847 -1.137780 -1.839493
N 4.246656 0.402996 -0.101370
C -1.840098 -0.648730 0.085415
C -2.220141 0.891696 0.182707
C -2.898926 -1.483911 -0.692032
C -1.654513 -1.242304 1.519032
C -2.140307 1.636060 -1.179470
C -3.608975 1.157930 0.824574
C -2.603213 -3.004749 -0.686410
C -1.329643 -2.754145 1.505303
C -2.385336 3.154644 -1.008880
C -3.852860 2.675660 1.017035
C -2.419536 -3.549713 0.749150
C -3.740909 3.439894 -0.323389
C -0.500035 -0.711312 -0.675144
C 1.874754 -0.079136 -0.593121
C 2.888783 0.320876 0.487349
C 4.933351 -0.912607 -0.171132
C 5.068994 1.524273 0.418184
C 6.131508 -0.923264 -1.138647
C 5.518617 1.416896 1.901758
H -1.453230 1.342984 0.849655
H -2.966840 -1.127839 -1.735920
H -3.884750 -1.313810 -0.217066
H -2.599599 -1.095963 2.077558
H -0.865282 -0.679681 2.049558
H -1.154151 1.476040 -1.655911
H -2.897239 1.218726 -1.874587
H -4.407332 0.753477 0.170146
H -3.699406 0.645058 1.800866
H -1.690264 -3.199429 -1.279667
H -3.432340 -3.537347 -1.192084
H -1.237025 -3.121195 2.546200
H -0.345291 -2.922867 1.021729
H -1.568151 3.586356 -0.393813
H -2.341659 3.656261 -1.995313
H -3.104598 3.078250 1.731208
H -4.849814 2.840717 1.470696
H -2.160427 -4.625894 0.719049
H -3.378741 -3.463854 1.302001
H -4.564216 3.118848 -0.994916
H -3.867761 4.527562 -0.157455
H 2.106320 -1.055333 -1.055021
H 1.827194 0.678923 -1.394399
H 2.821372 -0.398665 1.337007
H 2.606118 1.312279 0.885960
H 5.264617 -1.266211 0.837888
H 4.191560 -1.651909 -0.527040
H 5.960245 1.626971 -0.227729
H 4.482805 2.453293 0.282506
H 5.819114 -0.564529 -2.135194
H 6.959740 -0.283133 -0.784931
H 6.527570 -1.950195 -1.241872
H 6.088029 2.319021 2.193583
H 6.170194 0.540064 2.069211
H 4.649054 1.331423 2.579414


