%chk=000083415.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083415

0 1
 O   0.8178000     -0.4771000      0.5887000    
 O   -1.491900       2.811600     -0.1104000    
 O   0.4692000       1.959200      0.3863000    
 N  -0.7470000       1.827900      0.1111000    
 C  -0.5132000     -0.6033000      0.2865000    
 C    1.738000      -1.102000     -0.2958000    
 C   -1.300000      0.5191000      4.8500001E-02
 C    3.046700     -0.3645000     -0.2637000    
 C   -1.064600      -1.879100      0.2220000    
 C   -2.652200      0.3644000     -0.2566000    
 C   -2.416900      -2.033700     -8.3499998E-02
 C   -3.210700     -0.9120000     -0.3226000    
 C    3.760900     -0.3087000       1.056000    
 C    3.563800      0.1980000      -1.366600    
 H    1.334900      -1.129500      -1.317100    
 H    1.899700      -2.137100      2.7899999E-02
 H  -0.4615000      -2.761600      0.4155000    
 H   -3.303300       1.213400     -0.4494000    
 H   -2.852300      -3.027400     -0.1328000    
 H   -4.263600      -1.033100     -0.5597000    
 H    3.949700      -1.320800       1.428200    
 H    3.158700      0.2279000       1.796100    
 H    4.726500      0.2026000      0.9805000    
 H    3.049400      0.1494000      -2.320500    
 H    4.513200      0.7224000      -1.341000    


%chk=000083415-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083415

0 1
O 0.858706 -0.103427 -0.200022
O -1.818087 2.915382 0.451462
O 0.186986 2.110829 1.174144
N -0.973067 1.949388 0.635781
C -0.480416 -0.433507 -0.123528
C 1.851978 -1.174722 -0.490312
C -1.409626 0.591315 0.241820
C 3.224135 -0.550404 -0.346916
C -0.998004 -1.719844 -0.437904
C -2.800280 0.341831 0.253036
C -2.384395 -1.966815 -0.397678
C -3.294358 -0.937957 -0.058137
C 3.484234 0.187186 0.949131
C 4.142328 -0.697781 -1.337041
H 1.688310 -1.571723 -1.510609
H 1.705345 -1.987824 0.252507
H -0.318019 -2.525443 -0.727013
H -3.468356 1.167017 0.514290
H -2.755910 -2.968060 -0.641179
H -4.370480 -1.131790 -0.034739
H 3.361033 -0.485228 1.821433
H 2.750837 1.004610 1.074061
H 4.502554 0.608914 0.976014
H 3.908140 -1.216566 -2.274531
H 5.157714 -0.299380 -1.236469


