%chk=000046080.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046080

0 1
 O   0.2039000     -0.8771000       1.007500    
 O  -0.5888000     -2.9200001E-02 -0.9971000    
 N    4.385400       1.337000      0.1096000    
 N   -2.015200     -0.4302000      0.8216000    
 C    3.547800      0.2080000     -4.9999999E-03
 C    2.275000      0.2235000      0.5654000    
 C    1.480300     -0.8929000      0.4358000    
 C    3.991600     -0.9233000     -0.6897000    
 C    1.889800      -2.023800     -0.2333000    
 C    3.162500      -2.039300     -0.8037000    
 C    5.826200       1.182100      0.1380000    
 C    3.816600       2.667900      0.1864000    
 C   -3.272800     -4.8099998E-02  0.3534000    
 C  -0.7935000     -0.4021000      0.1525000    
 C   -4.387700     -0.1524000       1.185100    
 C   -3.415300      0.4374000     -0.9465000    
 C   -5.645100      0.2290000      0.7171000    
 C   -4.672900      0.8188000      -1.414400    
 C   -5.787700      0.7147000     -0.5827000    
 H    1.904100       1.083400       1.114600    
 H    4.972000     -0.9636000      -1.155800    
 H    1.244300      -2.891800     -0.3220000    
 H    3.506500      -2.919500      -1.339100    
 H    6.221400       1.041400     -0.8735000    
 H    6.126500      0.3330000      0.7623000    
 H    6.310300       2.069600      0.5606000    
 H    4.561500       3.431400     -6.4800002E-02
 H    3.458200       2.878800       1.199400    
 H    2.988200       2.791500     -0.5204000    
 H   -1.984000     -0.7753000       1.778000    
 H   -4.291300     -0.5292000       2.200200    
 H   -2.599400      0.5463000      -1.647400    
 H   -6.513200      0.1478000       1.364600    
 H   -4.785300       1.197000      -2.426400    
 H   -6.766800       1.011600     -0.9471000    


%chk=000046080-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046080

0 1
O 0.098832 -1.201477 0.297956
O -0.539789 1.047195 -0.191242
N 4.346640 1.300377 -0.261713
N -2.077106 -0.708997 0.204086
C 3.644047 0.118247 -0.003647
C 2.211647 0.121809 0.003378
C 1.524533 -1.078078 0.263127
C 4.329784 -1.111044 0.256725
C 2.189898 -2.296851 0.520195
C 3.600108 -2.288838 0.511987
C 5.813406 1.293762 -0.266337
C 3.617986 2.548916 -0.520341
C -3.339352 -0.066938 0.077376
C -0.817788 -0.146789 0.072528
C -4.496867 -0.869460 0.267718
C -3.480425 1.313555 -0.224595
C -5.781081 -0.299794 0.158660
C -4.774528 1.867405 -0.329800
C -5.929651 1.074709 -0.141051
H 1.644567 1.030658 -0.187639
H 5.421908 -1.149640 0.260785
H 1.612684 -3.203668 0.716553
H 4.142171 -3.220636 0.708841
H 6.220980 0.603053 -1.033209
H 6.229846 0.992766 0.717368
H 6.183434 2.305910 -0.494033
H 4.338521 3.362169 -0.701567
H 2.981189 2.841456 0.339318
H 2.963453 2.467536 -1.411832
H -2.077386 -1.707489 0.423483
H -4.389781 -1.936691 0.501027
H -2.590243 1.928292 -0.370768
H -6.664431 -0.930331 0.308267
H -4.876750 2.933343 -0.562686
H -6.927352 1.517963 -0.225717


