%chk=000104332.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104332

0 1
 O  -0.1331000       1.242000     -0.4598000    
 O    2.695800      -1.770700      0.4223000    
 N   -2.571000      0.4252000      0.2535000    
 N   0.7708000     -0.8573000      9.3900003E-02
 N    4.165500      0.6859000     -5.4600000E-02
 N    5.234800      0.8007000     -1.6400000E-02
 C   -3.922900     -0.1151000      0.3116000    
 C   -1.616100     -0.6000000     -0.1400000    
 C   -4.331900     -0.6658000      -1.048400    
 C   -4.902900      0.9469000      0.7947000    
 C  -0.2479000      5.0200000E-02 -0.1841000    
 C    2.147600     -0.6714000      0.1346000    
 C    2.711200      0.5295000     -0.1073000    
 H   -3.956000     -0.9351000       1.041000    
 H   -2.316200      0.7971000       1.168700    
 H   -1.619600      -1.432600      0.5721000    
 H   -1.786100     -0.9839000      -1.150500    
 H   -5.403200     -0.8991000      -1.058200    
 H   -4.151400      5.8100000E-02  -1.851300    
 H   -3.816400      -1.599000      -1.295900    
 H   -4.621200       1.321500       1.785100    
 H   -5.915300      0.5360000      0.8728000    
 H   -4.938400       1.800200      0.1082000    
 H   0.4902000      -1.815200      0.2931000    
 H    2.151600       1.422600     -0.3466000    


%chk=000104332-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104332

0 1
O -0.023382 1.069064 0.572286
O 3.030148 -1.636081 -0.731378
N -2.603491 0.365087 -0.098449
N 0.859284 -0.896671 -0.372253
N 4.037389 0.762005 0.391183
N 5.195117 0.951243 0.476682
C -3.960713 -0.051411 0.321866
C -1.585304 -0.678997 -0.144990
C -4.602387 -0.971909 -0.740131
C -4.814427 1.211506 0.549314
C -0.189249 -0.071660 0.048628
C 2.279534 -0.713180 -0.293421
C 2.733353 0.542731 0.292919
H -3.917112 -0.624440 1.286200
H -2.253980 1.197328 0.396952
H -1.711106 -1.446898 0.665820
H -1.612369 -1.236932 -1.104995
H -5.621100 -1.268891 -0.430400
H -4.663074 -0.441883 -1.707669
H -4.016022 -1.897673 -0.889599
H -4.369577 1.862927 1.325655
H -5.832744 0.938763 0.877711
H -4.890215 1.792637 -0.387551
H 0.616432 -1.791467 -0.811740
H 2.032895 1.305499 0.645860


