%chk=000063198.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063198

0 1
 O  -0.1275000       1.733200       1.192400    
 N   0.4450000     -0.3019000      0.1555000    
 N   -1.346600      -1.584700     -0.8330000    
 C  -7.8299999E-02  -1.653600     -0.1269000    
 C   -2.272700     -0.6325000     -0.4429000    
 C    1.874100     -7.4600004E-02  0.1000000    
 C   -1.881900      0.4866000      0.3008000    
 C  -0.4405000      0.7037000      0.5990000    
 C  -0.2561000      -2.478900       1.152200    
 C    2.467000      0.4389000      -1.049800    
 C   -3.621000     -0.7652000     -0.8026000    
 C   -2.828500       1.437300      0.7062000    
 C    2.648000     -0.3768000       1.217000    
 C    3.845100      0.6520000      -1.083200    
 C   -4.564700      0.1807000     -0.4002000    
 C   -4.169100       1.277900      0.3590000    
 C    1.656800      0.7706000      -2.260800    
 C    4.026200     -0.1636000       1.183700    
 C    4.624700      0.3508000      3.3700000E-02
 H   0.6392000      -2.166600     -0.7786000    
 H   -1.668100      -2.401000      -1.340100    
 H  -0.6809000      -3.462500      0.9230000    
 H   0.7038000      -2.638100       1.652700    
 H  -0.9233000      -1.987100       1.868500    
 H   -3.949300      -1.618700      -1.391800    
 H   -2.540800       2.313000       1.281600    
 H    2.194100     -0.7688000       2.122800    
 H    4.327900       1.052300      -1.970700    
 H   -5.607400      5.9500001E-02 -0.6787000    
 H   -4.902500       2.015400      0.6716000    
 H    1.130100     -0.1171000      -2.626000    
 H   0.9283000       1.555000      -2.031300    
 H    2.282400       1.136600      -3.082200    
 H    4.632900     -0.3960000       2.054100    
 H    5.697600      0.5173000      8.1000002E-03


%chk=000063198-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063198

0 1
O -0.066835 1.746747 1.368306
N 0.395216 -0.142398 0.052092
N -1.392786 -1.280619 -1.095848
C -0.098781 -1.467664 -0.424229
C -2.364767 -0.488953 -0.481386
C 1.829177 0.052790 0.101127
C -1.937420 0.487867 0.471810
C -0.485635 0.750068 0.702037
C -0.170664 -2.483370 0.745849
C 2.570921 0.157828 -1.111721
C -3.746508 -0.601507 -0.798096
C -2.898553 1.307445 1.110991
C 2.480217 0.136032 1.356404
C 3.978393 0.311743 -1.017231
C -4.683951 0.226921 -0.151956
C -4.268962 1.179589 0.815168
C 1.894447 0.135454 -2.471442
C 3.878197 0.300778 1.424542
C 4.633082 0.378839 0.231131
H 0.623792 -1.835465 -1.172825
H -1.682499 -1.983771 -1.774929
H -0.452552 -3.484798 0.371773
H 0.812581 -2.560538 1.242921
H -0.919494 -2.162087 1.490437
H -4.077917 -1.340671 -1.537766
H -2.530283 2.057005 1.819477
H 1.878426 0.094263 2.268606
H 4.561701 0.398388 -1.942252
H -5.747285 0.126687 -0.398381
H -5.006240 1.815903 1.314369
H 1.898386 -0.879287 -2.918618
H 0.843680 0.465027 -2.401315
H 2.422835 0.798357 -3.178459
H 4.373468 0.370786 2.399002
H 5.720609 0.505710 0.273513


