%chk=000003778.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003778

0 1
 O   0.7455000       1.937400      0.2706000    
 N   0.3007000      -1.494300      9.0099998E-02
 N  -0.2601000     -0.2153000      0.2185000    
 C    2.036700     -3.7700001E-02 -7.8900002E-02
 C    3.348600      0.6339000     -0.2216000    
 C    1.665900      -1.327100     -0.1382000    
 C   0.7780000      0.7198000      0.1896000    
 C    3.342300       1.599700      -1.410700    
 C    3.740300       1.376200       1.061100    
 C   -1.643400      4.9699999E-02  6.0699999E-02
 C    2.550700      -2.506600     -0.3672000    
 C  -0.1870000      -2.557300      0.9640000    
 C   -2.176000       1.277700      0.4651000    
 C   -2.485400     -0.9146000     -0.5014000    
 C   -3.537400       1.538900      0.3089000    
 C   -3.846800     -0.6536000     -0.6579000    
 C   -4.372600      0.5732000     -0.2526000    
 H    4.126900     -0.1132000     -0.4133000    
 H    2.684800       2.460300      -1.253200    
 H    3.025000       1.092500      -2.328800    
 H    4.351200       1.991500      -1.583500    
 H    3.721500      0.7027000       1.925300    
 H    3.079500       2.221900       1.275900    
 H    4.758300       1.772400      0.9733000    
 H    3.564900      -2.221100     -0.6584000    
 H    2.147100      -3.131200      -1.171100    
 H    2.624100      -3.115800      0.5393000    
 H  -1.3400000E-02  -3.534200      0.5004000    
 H   -1.254300      -2.486700       1.186800    
 H   0.3415000      -2.533200       1.924300    
 H   -1.565500       2.043800      0.9321000    
 H   -2.110000      -1.867000     -0.8646000    
 H   -3.948500       2.491500      0.6299000    
 H   -4.496200      -1.401900      -1.102700    
 H   -5.432400      0.7767000     -0.3748000    


%chk=000003778-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003778

0 1
O 0.624544 2.034171 0.233173
N 0.284143 -1.510295 0.062367
N -0.252593 -0.198579 0.273048
C 2.028816 -0.004129 -0.054727
C 3.384898 0.637854 -0.261854
C 1.686451 -1.346605 -0.076930
C 0.805084 0.778898 0.171048
C 3.386753 1.533960 -1.531569
C 3.806157 1.459654 0.987889
C -1.646934 0.047305 0.100863
C 2.561186 -2.561404 -0.212094
C -0.254127 -2.572353 0.947903
C -2.227597 1.182669 0.724096
C -2.446347 -0.813894 -0.696759
C -3.603252 1.440937 0.549772
C -3.824823 -0.551428 -0.845150
C -4.411979 0.574614 -0.223025
H 4.133083 -0.167794 -0.408858
H 2.644968 2.343977 -1.421964
H 3.131947 0.949903 -2.434795
H 4.383533 1.989063 -1.681107
H 3.851858 0.823653 1.891010
H 3.077732 2.268752 1.169306
H 4.802371 1.913767 0.832011
H 3.582351 -2.258019 -0.491562
H 2.182884 -3.246581 -0.992559
H 2.632736 -3.133220 0.733128
H 0.151150 -3.540864 0.615360
H -1.350766 -2.605501 0.861994
H 0.018660 -2.400646 2.008481
H -1.596615 1.853180 1.311250
H -1.979265 -1.653728 -1.221899
H -4.045341 2.322524 1.027000
H -4.436031 -1.219369 -1.462596
H -5.481137 0.778525 -0.345250


