%chk=000012643.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012643

0 1
 O    1.961900     -0.6854000      0.8021000    
 O    2.595500      0.7477000     -0.9157000    
 N    4.020300      0.3263000      0.8660000    
 C   -2.687600      0.6379000      8.7300003E-02
 C   -3.128400      0.5430000       1.566000    
 C   -2.400400       2.112000     -0.2789000    
 C   -1.503900     -0.2678000     -0.2154000    
 C   -3.625000     -0.8435000       1.959100    
 C   -2.080800       2.314800      -1.755400    
 C  -0.3105000     -4.9400002E-02  0.4428000    
 C   -1.658200      -1.282100      -1.138900    
 C   0.7750000     -0.8806000      0.1655000    
 C  -0.5729000      -2.113200      -1.416100    
 C   0.6436000      -1.912500     -0.7639000    
 C    2.849400      0.1916000      0.1486000    
 C    5.122000       1.161100      0.4468000    
 H   -3.543500      0.3188000     -0.5244000    
 H   -2.317800      0.8392000       2.242300    
 H   -3.947800       1.252600       1.738200    
 H   -3.284100       2.716600     -3.7900001E-02
 H   -1.577300       2.515000      0.3232000    
 H   -2.824100      -1.587400       1.911700    
 H   -4.003000     -0.8284000       2.986500    
 H   -4.439700      -1.168600       1.304400    
 H   -1.982300       3.383300      -1.973000    
 H   -1.139500       1.833100      -2.036500    
 H   -2.878900       1.914100      -2.388400    
 H  -0.1959000      0.7505000       1.168200    
 H   -2.600200      -1.447900      -1.652500    
 H  -0.6750000      -2.916700      -2.139600    
 H    1.484900      -2.564100     -0.9840000    
 H    4.112400     -0.1890000       1.735900    
 H    6.005700      0.5283000      0.3345000    
 H    5.305200       1.901900       1.229000    
 H    4.904000       1.665000     -0.4976000    


%chk=000012643-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012643

0 1
O 2.214996 -0.727931 -0.144662
O 2.142793 1.344170 1.051228
N 4.128658 0.162962 0.630868
C -2.658844 0.681389 0.022707
C -2.776191 0.807134 1.571403
C -2.478120 2.087397 -0.624019
C -1.543748 -0.283845 -0.389562
C -3.131350 -0.515789 2.282202
C -2.525531 2.077518 -2.166665
C -0.196655 0.003719 -0.039994
C -1.832313 -1.463556 -1.117281
C 0.824880 -0.890122 -0.424931
C -0.795732 -2.349774 -1.494584
C 0.541160 -2.069637 -1.151445
C 2.770207 0.369923 0.568699
C 5.028455 1.105545 1.299033
H -3.618709 0.264089 -0.350278
H -1.823020 1.202404 1.976407
H -3.550468 1.567928 1.798314
H -3.275629 2.751898 -0.233983
H -1.516528 2.521607 -0.284317
H -2.358354 -1.284887 2.104469
H -3.219566 -0.368225 3.374340
H -4.095865 -0.917343 1.916388
H -2.415037 3.099457 -2.573756
H -1.715684 1.454778 -2.587520
H -3.487655 1.669959 -2.531952
H 0.058013 0.905147 0.520028
H -2.870221 -1.688447 -1.389181
H -1.028649 -3.260380 -2.057541
H 1.361403 -2.737319 -1.431011
H 4.493610 -0.680434 0.188139
H 5.767568 1.524798 0.591572
H 5.566377 0.622185 2.135385
H 4.418849 1.929882 1.701400


