%chk=000030678.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030678

0 1
 O    2.031200      -1.484500      0.7785000    
 O    3.045900       1.054100      0.2726000    
 N   -3.155100     -3.3500001E-02 -0.5271000    
 N   -5.111400     -0.4562000      -1.688500    
 N   -5.303500     -5.7100002E-02  0.5472000    
 C   -1.049900      0.4771000      0.6338000    
 C    1.194300     -0.4175000      0.6461000    
 C    1.703400      0.8562000      0.3928000    
 C  -0.1823000     -0.6071000      0.7665000    
 C  -0.5408000       1.750700      0.3805000    
 C   -2.521800      0.2743000      0.7613000    
 C   0.8358000       1.940300      0.2600000    
 C    1.860600      -2.559900     -0.1425000    
 C    3.515000       1.579500     -0.9675000    
 C    3.199900      -3.226000     -0.3762000    
 C    4.921500       1.077200      -1.215200    
 C   -4.442800     -0.1675000     -0.5222000    
 H  -0.5808000      -1.598100      0.9699000    
 H   -1.206100       2.603600      0.2743000    
 H   -2.709800     -0.5386000       1.475600    
 H   -2.963700       1.181100       1.196100    
 H    1.218100       2.939600      7.0299998E-02
 H    1.154300      -3.281900      0.2816000    
 H    1.465800      -2.199600      -1.100700    
 H    2.869200       1.265400      -1.797000    
 H    3.514600       2.673500     -0.9135000    
 H    3.103300      -4.065900      -1.069900    
 H    3.919700      -2.510000     -0.7862000    
 H    3.618200      -3.592900      0.5669000    
 H    5.317900       1.471500      -2.155100    
 H    5.587000       1.375000     -0.3983000    
 H    4.938000     -1.6899999E-02  -1.256100    
 H   -4.612300     -0.5677000      -2.564300    
 H   -6.119500     -0.5646000      -1.709200    
 H   -6.302800     -0.1835000      0.4281000    
 H   -4.978900      0.1480000       1.485300    


%chk=000030678-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030678

0 1
O 1.926184 -1.494081 -0.525586
O 3.227555 0.815395 -0.330632
N -3.071577 -0.585069 -0.082003
N -4.828380 -2.113474 0.235807
N -5.327657 0.172902 0.410617
C -1.016021 0.817742 -0.060863
C 1.126687 -0.356212 -0.338313
C 1.828031 0.886155 -0.232981
C -0.281765 -0.375914 -0.252325
C -0.321515 2.040424 0.043751
C -2.543724 0.786792 0.026155
C 1.090720 2.076026 -0.041868
C 1.233851 -2.790883 -0.634086
C 3.975540 2.079287 -0.226614
C 2.317888 -3.848930 -0.825464
C 5.453994 1.724295 -0.367193
C -4.341225 -0.797860 0.168416
H -0.859895 -1.299750 -0.329747
H -0.873122 2.977361 0.193072
H -2.850612 1.275005 0.983846
H -2.942833 1.432998 -0.792582
H 1.608113 3.036301 0.042730
H 0.645626 -2.976364 0.288587
H 0.533771 -2.767614 -1.494823
H 3.650371 2.773721 -1.030036
H 3.768564 2.556871 0.754495
H 1.861150 -4.851961 -0.913204
H 2.900690 -3.645423 -1.740003
H 3.012181 -3.851123 0.032110
H 6.075038 2.636021 -0.294112
H 5.760193 1.023820 0.428308
H 5.645399 1.243731 -1.341701
H -4.118973 -2.835672 0.122294
H -5.765936 -2.316778 -0.108322
H -6.166398 -0.065541 0.934888
H -5.099716 1.155901 0.295282


