%chk=000034559.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034559

0 1
 O    2.034800      -1.936100      0.2800000    
 N  -0.1951000      0.4331000      0.5997000    
 N   0.4412000      0.2490000     -0.4643000    
 C   -4.302700     -4.3000001E-03 -9.2799999E-02
 C   -1.566700      0.2869000      0.3681000    
 C    1.819300      0.3961000     -0.2314000    
 C   -3.535900      -1.109600      0.2757000    
 C   -3.701300       1.246700     -0.2309000    
 C    2.592800     -0.7010000      0.1370000    
 C   -2.168000     -0.9640000      0.5061000    
 C   -2.333400       1.392300     -5.0000002E-04
 C   -5.765400     -0.1599000     -0.3389000    
 C    2.402000       1.652600     -0.3738000    
 C    3.959500     -0.5408000      0.3650000    
 C    3.768800       1.812900     -0.1460000    
 C    4.547500      0.7161000      0.2234000    
 C    2.002600      -2.770000     -0.8764000    
 H   -3.993000      -2.089200      0.3884000    
 H   -4.288400       2.115900     -0.5156000    
 H   -1.578900      -1.831100      0.7936000    
 H   -1.874100       2.371500     -0.1094000    
 H    1.803500       2.512600     -0.6621000    
 H   -6.118500      0.5569000      -1.088000    
 H   -5.997900      -1.160500     -0.7189000    
 H   -6.321700      6.0000003E-04  0.5898000    
 H    4.572400      -1.390300      0.6538000    
 H    4.226800       2.791500     -0.2563000    
 H    5.611700      0.8409000      0.4009000    
 H    1.518400      -3.712100     -0.6055000    
 H    3.018700      -2.985200      -1.222100    
 H    1.425100      -2.298200      -1.677700    


%chk=000034559-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000034559

0 1
O 2.849671 -2.214524 -0.155019
N -0.168959 0.843514 -0.077638
N 0.671219 -0.165416 -0.106545
C -4.363177 -0.013051 -0.236836
C -1.547852 0.471529 -0.132932
C 2.046801 0.200588 -0.051881
C -3.431092 -1.089739 -0.264981
C -3.855528 1.310160 -0.160709
C 3.039471 -0.838829 -0.079105
C -2.045603 -0.861533 -0.212711
C -2.468502 1.552359 -0.107801
C -5.856735 -0.279074 -0.264080
C 2.486191 1.561121 0.028256
C 4.418879 -0.486385 -0.024797
C 3.843930 1.891697 0.079838
C 4.818964 0.854415 0.053146
C 1.528655 -2.856417 -0.234774
H -3.808382 -2.118030 -0.329880
H -4.554504 2.154717 -0.143886
H -1.333351 -1.691556 -0.235940
H -2.068015 2.570018 -0.050638
H 1.707312 2.329414 0.046783
H -6.418469 0.596499 -0.633120
H -6.103816 -1.142168 -0.907719
H -6.236558 -0.510570 0.750563
H 5.147363 -1.302276 -0.047281
H 4.156980 2.939234 0.140523
H 5.886136 1.098810 0.093130
H 1.761887 -3.931573 -0.294012
H 0.977363 -2.519281 -1.128479
H 0.923824 -2.630352 0.659422


