%chk=000029207.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029207

0 1
 O    2.282000      -1.794400     -0.5617000    
 O   0.9657000       1.938500      0.3708000    
 O   -5.662100       1.193200     -0.5367000    
 O   -5.857700     -0.7910000      0.3819000    
 N   0.4678000     -0.3441000      7.0799999E-02
 N   -5.154100      0.1483000     -6.2300000E-02
 C    1.064800      -1.674400      0.1844000    
 C    2.755000      0.4704000      0.1258000    
 C  -0.9661000     -0.2181000      3.7900001E-02
 C    1.308100      0.7729000      0.1968000    
 C    3.169300     -0.7994000     -0.2693000    
 C   -1.548700      0.9343000     -0.4834000    
 C   -1.764000      -1.249700      0.5267000    
 C    3.705400       1.461100      0.3935000    
 C    4.526700      -1.080200     -0.4269000    
 C   -2.937800       1.056200     -0.5162000    
 C   -3.153200      -1.128000      0.4940000    
 C   -3.740200      2.5000000E-02 -2.7600000E-02
 C    5.064600       1.173300      0.2575000    
 C    5.474500     -9.3999997E-02 -0.1560000    
 H    1.253800      -1.899300       1.241700    
 H   0.4011000      -2.435300     -0.2357000    
 H  -0.9672000       1.738700     -0.9216000    
 H   -1.350400      -2.149500      0.9715000    
 H    3.409900       2.460300      0.7011000    
 H    4.852800      -2.064500     -0.7516000    
 H   -3.360800       1.963500     -0.9400000    
 H   -3.746900      -1.948000      0.8898000    
 H    5.804400       1.941100      0.4652000    
 H    6.532500     -0.3121000     -0.2694000    


%chk=000029207-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029207

0 1
O 2.229655 -1.806345 -0.543642
O 0.934445 1.960619 0.601020
O -5.700526 1.169763 -0.822779
O -5.941964 -0.870458 0.172008
N 0.461572 -0.330174 0.257599
N -5.218297 0.108878 -0.264150
C 1.071742 -1.674641 0.347588
C 2.788956 0.439839 0.258149
C -0.956393 -0.193304 0.152269
C 1.344927 0.780546 0.410326
C 3.191779 -0.806119 -0.293777
C -1.537759 0.950735 -0.466700
C -1.806672 -1.221554 0.650378
C 3.777455 1.425311 0.511355
C 4.534245 -1.063386 -0.633920
C -2.930828 1.049933 -0.601768
C -3.201569 -1.129349 0.511797
C -3.752117 0.006863 -0.117168
C 5.127687 1.170646 0.209379
C 5.500542 -0.069059 -0.374040
H 1.411967 -1.877962 1.383723
H 0.357557 -2.435517 0.008459
H -0.897842 1.755020 -0.830286
H -1.390726 -2.082592 1.182368
H 3.450795 2.387957 0.917715
H 4.801767 -2.028039 -1.074286
H -3.392421 1.916232 -1.082389
H -3.866882 -1.908030 0.893130
H 5.888161 1.931621 0.409475
H 6.549943 -0.262635 -0.620832


