%chk=000122847.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122847

0 1
 O   -1.374300      0.3652000      0.9946000    
 O   -4.968400      2.7999999E-03  0.4989000    
 O    1.474800      -2.404200     -5.0400000E-02
 N   0.7358000     -0.2278000      0.1597000    
 N    3.079000     -0.8007000      3.6899999E-02
 N    4.717700      0.8467000      0.1288000    
 C   -2.535500      0.2194000      -1.051400    
 C   -1.257000     -0.5119000      -1.188300    
 C   -1.447900      0.7916000      -1.917200    
 C   -2.661400      0.6127000      0.3862000    
 C  -0.6556000     -0.5737000      0.1731000    
 C   -3.712300     -0.2051000       1.121500    
 C    1.093200       1.108900      0.2652000    
 C    1.755700      -1.207900      4.3299999E-02
 C    2.359600       1.520400      0.2621000    
 C    3.396700      0.4633000      0.1371000    
 H   -3.427200     -0.1517000      -1.532300    
 H   -1.223400      -1.434300      -1.747600    
 H   -1.586600      0.7456000      -2.991400    
 H  -0.9527000       1.691800      -1.582600    
 H   -2.887600       1.681500      0.4667000    
 H  -0.7931000      -1.572700      0.6025000    
 H   -3.771100      9.8200001E-02   2.172100    
 H   -3.476400      -1.274700       1.094700    
 H   0.3041000       1.846500      0.3508000    
 H   -5.621000     -0.5269000      0.9876000    
 H    2.643700       2.561100      0.3428000    
 H    5.458800      0.1591000      4.5000002E-02
 H    4.996100       1.819500      0.2044000    


%chk=000122847-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122847

0 1
O -1.420907 0.546101 0.894892
O -5.084108 0.003587 0.524843
O 1.309158 -2.261122 -0.414930
N 0.782249 -0.066949 0.206195
N 3.086920 -0.736173 -0.152377
N 4.802378 0.807961 0.080988
C -2.627716 0.061382 -1.132419
C -1.265393 -0.654147 -1.182853
C -1.487457 0.641850 -1.973416
C -2.780338 0.616534 0.281056
C -0.640347 -0.501108 0.202650
C -3.761304 -0.200897 1.135548
C 1.169668 1.221226 0.487079
C 1.752919 -1.106056 -0.143976
C 2.506059 1.578681 0.454277
C 3.452441 0.536093 0.123552
H -3.523677 -0.345140 -1.605065
H -1.105072 -1.602458 -1.695870
H -1.561374 0.554253 -3.060446
H -0.995495 1.556300 -1.622918
H -3.071344 1.681960 0.305322
H -0.676682 -1.462754 0.745047
H -3.728751 0.172456 2.178728
H -3.473647 -1.273605 1.122946
H 0.366927 1.911572 0.754788
H -5.780731 -0.412447 1.090055
H 2.815566 2.599437 0.686326
H 5.432192 0.041776 -0.151656
H 5.171568 1.734385 0.274433


