%chk=000094414.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094414

0 1
 O   -2.388500      -1.585700      0.4542000    
 O    2.997200       1.055700       1.014600    
 O   -3.018100       1.124600      0.3213000    
 N   0.8001000      3.3900000E-02 -0.4965000    
 C    2.194400     -0.3029000     -0.7963000    
 C  -0.1519000     -0.9627000     -0.1702000    
 C   0.3876000       1.357500     -0.5520000    
 C   -1.439500     -0.6445000      0.1212000    
 C    3.024400     -0.2600000      0.4754000    
 C   0.3078000      -2.400900     -0.1401000    
 C  -0.8480000       1.796000     -0.3007000    
 C   -1.865500      0.7891000      6.8999998E-02
 H    2.598200      0.4234000      -1.514600    
 H    2.288000      -1.277900      -1.286200    
 H    1.167100       2.059400     -0.8290000    
 H    4.066200     -0.5078000      0.2506000    
 H    2.668100     -0.9546000       1.241500    
 H  -0.3641000      -3.081200      0.3881000    
 H    1.260600      -2.505700      0.3864000    
 H   0.4313000      -2.777300      -1.160900    
 H   -1.123200       2.840800     -0.3565000    
 H   -2.110200      -2.465500      0.1606000    
 H    2.129800       1.180200       1.435400    


%chk=000094414-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094414

0 1
O -2.471658 -1.530621 0.403148
O 3.114317 1.105521 1.080590
O -3.117448 1.138998 0.406617
N 0.790287 0.006427 -0.562602
C 2.224146 -0.305020 -0.779096
C -0.149489 -0.990970 -0.205424
C 0.401746 1.342934 -0.600068
C -1.461130 -0.615650 0.086539
C 3.053514 -0.247502 0.525738
C 0.313934 -2.435544 -0.204954
C -0.880807 1.745446 -0.290458
C -1.925153 0.799456 0.100627
H 2.628460 0.446773 -1.479125
H 2.331698 -1.293003 -1.257637
H 1.177927 2.048002 -0.908822
H 4.100998 -0.508295 0.297711
H 2.662705 -0.971255 1.271100
H -0.400832 -3.089237 0.325132
H 1.276423 -2.565848 0.319551
H 0.427533 -2.838809 -1.229699
H -1.148904 2.804015 -0.342541
H -2.166350 -2.466907 0.306530
H 2.229885 1.354989 1.452444


