%chk=000154480.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154480

0 1
 O  -0.2283000      -1.583100     -0.9598000    
 O   -4.697400      -3.861300     -0.1829000    
 N   -2.774600       1.315400      0.3841000    
 N    4.683600     -0.8772000      0.4342000    
 N    1.797900      0.3736000      -1.116000    
 N   -2.436900       3.487000      0.7551000    
 C   -1.471800       1.574300      7.0400000E-02
 C  -0.5187000      0.6857000     -0.3906000    
 C    4.024000     -0.2693000      -1.844300    
 C   0.7520000       1.192600     -0.6417000    
 C    4.139000      -1.381500     -0.8040000    
 C    3.112200      0.8699000      -1.384100    
 C   -3.292200      1.3100000E-02  0.2512000    
 C   -1.268200       2.916300      0.3010000    
 C   -2.416700      -1.002100     -0.2149000    
 C  -0.9787000     -0.7057000     -0.5589000    
 C    1.008700       2.555100     -0.4220000    
 C   1.1700000E-02   3.436400      4.9899999E-02
 C    6.023800     -0.3105000      0.2317000    
 C    4.740500      -1.931000       1.456300    
 C   -3.320300       2.502900      0.7942000    
 C   -4.619300     -0.2744000      0.5660000    
 C   -2.896400      -2.305200     -0.3583000    
 C    6.564300      0.2935000       1.516700    
 C    3.369400      -2.541300       1.692600    
 C   -4.226800      -2.590400     -4.2100001E-02
 C   -5.081100      -1.582900      0.4163000    
 H    3.589500     -0.7137000      -2.751000    
 H    4.994600      0.1193000      -2.167300    
 H    4.769600      -2.181300      -1.215500    
 H    3.143900      -1.816300     -0.6771000    
 H    3.076100       1.615300      -2.188100    
 H    3.544100       1.352600     -0.5002000    
 H    1.551000     -0.5718000      -1.384600    
 H    1.985300       2.994900     -0.6083000    
 H    6.001400      0.5208000     -0.4779000    
 H    6.728900      -1.056600     -0.1558000    
 H    5.048500      -1.514800       2.420800    
 H    5.453800      -2.720900       1.189200    
 H   0.2352000       4.485900      0.2111000    
 H   -4.349600       2.607500       1.108600    
 H   -5.306100      0.4859000      0.9239000    
 H   -2.245900      -3.100200     -0.7135000    
 H    5.827500      0.9432000       2.001600    
 H    6.894700     -0.4668000       2.230900    
 H    7.442700      0.9093000       1.291300    
 H    2.596200      -1.774300       1.812300    
 H    3.072600      -3.227700      0.8936000    
 H    3.386600      -3.131500       2.616100    
 H   -6.114800      -1.815200      0.6594000    
 H   -3.979000      -4.430100     -0.5089000    


%chk=000154480-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154480

0 1
O -0.163386 -1.581059 -1.225260
O -4.670947 -4.040714 -0.664215
N -2.836392 1.160225 0.520447
N 4.864503 -0.950440 0.357017
N 1.710184 0.437484 -1.147388
N -2.525312 3.340038 1.177952
C -1.519638 1.491956 0.222620
C -0.568034 0.641849 -0.363954
C 3.938990 -0.327036 -1.905723
C 0.742816 1.219443 -0.571297
C 4.137860 -1.437597 -0.844553
C 3.098169 0.854368 -1.387320
C -3.310032 -0.140996 0.226658
C -1.319265 2.831580 0.625389
C -2.389399 -1.067965 -0.370405
C -0.968031 -0.714497 -0.691653
C 0.974002 2.587420 -0.166024
C -0.028733 3.385097 0.420709
C 6.339565 -0.933076 0.158428
C 4.454787 -1.646594 1.608733
C -3.404653 2.330629 1.103262
C -4.641867 -0.538768 0.504350
C -2.840020 -2.377558 -0.671677
C 7.061285 0.083070 1.064598
C 3.075183 -1.196401 2.125962
C -4.162902 -2.760780 -0.391154
C -5.068281 -1.838997 0.198806
H 3.465533 -0.765941 -2.807658
H 4.923169 0.066119 -2.223616
H 4.661139 -2.304019 -1.319507
H 3.148597 -1.812644 -0.526179
H 3.123659 1.689919 -2.118260
H 3.555848 1.208849 -0.441381
H 1.393103 -0.517995 -1.398245
H 1.966267 3.018542 -0.324179
H 6.534001 -0.661054 -0.896089
H 6.780558 -1.952079 0.305557
H 5.210569 -1.417935 2.381946
H 4.465328 -2.758466 1.475732
H 0.187435 4.417640 0.713644
H -4.436188 2.376218 1.441693
H -5.344692 0.166297 0.958765
H -2.111642 -3.060608 -1.127211
H 6.659153 1.097020 0.893576
H 6.935416 -0.154997 2.136163
H 8.146362 0.089842 0.849958
H 3.074739 -0.108325 2.314056
H 2.266913 -1.414609 1.404848
H 2.830363 -1.718584 3.069905
H -6.091779 -2.164090 0.405779
H -3.977801 -4.616378 -1.072904


