%chk=000033079.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033079

0 1
 O   -1.868300      -2.517300     -0.4361000    
 N    4.465800      0.7031000      0.1982000    
 N    1.827200     -0.4855000      0.1016000    
 N   0.5679000     -0.8471000      0.4241000    
 C    4.273200     -0.7304000      0.4435000    
 C    3.448100       1.198600     -0.7350000    
 C    2.869400      -1.007500      0.9883000    
 C    2.038200      0.9335000     -0.1995000    
 C    5.809800      0.9654000     -0.3132000    
 C  -0.1976000     -0.9263000     -0.6070000    
 C   -1.620100      -1.321500     -0.3963000    
 C   -2.647500     -0.2881000     -0.1448000    
 C   -2.269500       1.041500     -0.1085000    
 C   -3.960400     -0.6772000      4.7300000E-02
 C   -3.238600       2.016400      0.1286000    
 C   -4.929400      0.2978000      0.2842000    
 C   -4.568400       1.644600      0.3247000    
 H    5.004500      -1.082800       1.181100    
 H    4.432200      -1.309900     -0.4762000    
 H    3.560700      0.7300000      -1.722300    
 H    3.566300       2.280400     -0.8724000    
 H    2.749100      -2.092400       1.097500    
 H    2.763500     -0.5708000       1.990300    
 H    1.862700       1.535100      0.7024000    
 H    1.321900       1.279600     -0.9542000    
 H    5.996300      0.4615000      -1.268500    
 H    6.566300      0.6320000      0.4058000    
 H    5.963700       2.040900     -0.4550000    
 H   9.0700001E-02 -0.7346000      -1.655600    
 H   -1.245800       1.367100     -0.2598000    
 H   -4.259800      -1.720800      1.9099999E-02
 H   -2.958100       3.065300      0.1596000    
 H   -5.965200      8.7000001E-03  0.4369000    
 H   -5.323000       2.403700      0.5089000    


%chk=000033079-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033079

0 1
O -2.250489 -0.521046 -2.640466
N 4.594112 0.638349 -0.125590
N 1.752568 0.391724 -0.378751
N 0.396397 0.306303 -0.370813
C 3.749345 0.544642 1.087748
C 4.017366 -0.185521 -1.210418
C 2.341416 1.083057 0.787165
C 2.605124 0.301805 -1.588597
C 6.010569 0.315118 0.137561
C -0.292401 -0.021628 -1.459669
C -1.761206 -0.192988 -1.500816
C -2.687870 -0.008524 -0.324514
C -2.276274 0.394480 0.975917
C -4.069975 -0.255131 -0.561196
C -3.228861 0.546161 2.007491
C -5.016902 -0.105086 0.470205
C -4.599011 0.297667 1.761792
H 4.201698 1.156817 1.888990
H 3.674471 -0.509786 1.459005
H 3.959627 -1.266584 -0.920351
H 4.665706 -0.110016 -2.102522
H 1.662240 0.925805 1.640508
H 2.408756 2.172112 0.581228
H 2.662870 1.294352 -2.083489
H 2.161145 -0.417330 -2.298095
H 6.169413 -0.737588 0.481697
H 6.406143 0.993099 0.914383
H 6.603410 0.468214 -0.781610
H 0.163956 -0.201959 -2.446835
H -1.217307 0.582783 1.162686
H -4.367618 -0.561921 -1.569437
H -2.901721 0.858685 3.005963
H -6.076985 -0.299502 0.272044
H -5.333911 0.416439 2.566487


