%chk=000122913.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122913

0 1
 O  -0.6838000      -1.986200     -0.3053000    
 N    1.680700     -0.5553000      -1.034200    
 N   -1.151800       1.438100     -3.5000000E-02
 N   -1.682300      0.1419000      4.6700001E-02
 C    3.208000      0.1011000      0.7900000    
 C    4.882400      -1.183600      8.2699999E-02
 C    2.964000      3.7500001E-02 -0.7352000    
 C    3.747500      -1.297500       1.100500    
 C    4.117300     -0.8696000      -1.216800    
 C    4.450600      0.9732000       1.050800    
 C    5.603800      8.9699998E-02  0.5542000    
 C   0.5345000      4.1099999E-02 -0.6450000    
 C   0.1557000       1.319700     -0.5006000    
 C  -0.6627000     -0.7663000     -0.2569000    
 C    1.002500       2.524300     -0.7413000    
 C   -1.490100       2.395900       1.013200    
 C   -3.072400     -0.1309000      9.2600003E-02
 C   -3.528600      -1.405600      0.4428000    
 C   -3.997800      0.8725000     -0.2111000    
 C   -4.896600      -1.674300      0.4885000    
 C   -5.365800      0.6038000     -0.1652000    
 C   -5.815100     -0.6697000      0.1846000    
 H    2.349400      0.4002000       1.395000    
 H    5.537000      -2.053900      5.4000001E-03
 H    3.073000       1.011200      -1.218100    
 H    3.040500      -2.101700      0.8734000    
 H    4.102700      -1.403400       2.131100    
 H    4.754200     -0.3592000      -1.947500    
 H    3.753400      -1.794200      -1.679700    
 H    4.565800       1.175100       2.121800    
 H    4.409600       1.933100      0.5264000    
 H    6.176300      0.5704000     -0.2453000    
 H    6.289500     -0.1330000       1.379400    
 H    1.639000      -1.565900      -1.127800    
 H    1.579400       2.432300      -1.665600    
 H    1.675400       2.706700      0.1015000    
 H   0.3823000       3.418000     -0.8711000    
 H   -1.505500       3.411500      0.6048000    
 H  -0.7479000       2.359400       1.819400    
 H   -2.464700       2.211800       1.473200    
 H   -2.848000      -2.205900      0.7145000    
 H   -3.689000       1.866800     -0.5208000    
 H   -5.247200      -2.663900      0.7670000    
 H   -6.081500       1.383600     -0.4091000    
 H   -6.880300     -0.8790000      0.2200000    


%chk=000122913-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000122913

0 1
O -0.870728 -2.063824 -0.190833
N 1.619293 -0.678387 -0.411983
N -1.328895 1.464703 0.168048
N -1.833871 0.116458 0.161371
C 3.631570 0.352601 0.767304
C 5.071171 -1.246530 0.010993
C 2.959275 -0.118167 -0.574726
C 4.240968 -0.974340 1.298603
C 3.960798 -1.222587 -1.080249
C 4.905118 1.169218 0.392749
C 5.907965 0.062442 -0.108755
C 0.451082 0.014239 -0.138845
C 0.105643 1.350452 0.012599
C -0.775999 -0.802479 -0.045823
C 0.913190 2.618844 0.032417
C -1.812374 2.253759 1.339674
C -3.226421 -0.128718 -0.019028
C -3.764773 -1.390127 0.348533
C -4.068080 0.872109 -0.572175
C -5.141710 -1.634159 0.165304
C -5.445958 0.615521 -0.733835
C -5.992210 -0.635638 -0.365289
H 2.934085 0.873812 1.442338
H 5.677134 -2.167367 0.003792
H 2.917994 0.729411 -1.291128
H 3.477411 -1.746473 1.501439
H 4.864644 -0.837468 2.200124
H 4.360969 -0.994333 -2.083410
H 3.452842 -2.204075 -1.143309
H 5.304309 1.702441 1.274102
H 4.693462 1.928165 -0.384713
H 6.251411 0.238186 -1.144357
H 6.804639 0.015568 0.535734
H 1.479501 -1.686958 -0.522170
H 1.961458 2.419565 -0.231660
H 0.912932 3.106070 1.028339
H 0.516128 3.352865 -0.694372
H -1.453899 3.289228 1.229234
H -1.447688 1.834501 2.300026
H -2.913185 2.266316 1.345047
H -3.101754 -2.162582 0.744302
H -3.630942 1.820029 -0.901292
H -5.551642 -2.611309 0.443988
H -6.089838 1.391286 -1.163436
H -7.061622 -0.832467 -0.496773


