%chk=000091362.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091362

0 1
 O   0.4406000       1.900600      0.6699000    
 O   -3.730700      -1.240700     -0.4610000    
 N    2.075100     -0.1207000      0.9013000    
 N    4.897100      0.6942000      -1.039200    
 N   -2.308600      -3.422400     -0.2914000    
 C  -0.3302000     -0.3181000      0.3539000    
 C   -1.420300      -1.139200      5.7700001E-02
 C   0.9264000     -0.8862000      0.5952000    
 C    3.353500     -0.7088000       1.146300    
 C    4.411500      0.3712000       1.369500    
 C   -1.253600      -2.528200      2.4000001E-03
 C  -0.4918000       1.148900      0.4150000    
 C   -1.823400       1.734900      0.1588000    
 C    4.563800       1.363400      0.2125000    
 C   -2.913600      0.9138000     -0.1371000    
 C   -2.751900     -0.5532000     -0.1982000    
 C    1.088100      -2.270800      0.5392000    
 C   3.9999999E-04  -3.090100      0.2433000    
 C   -1.990000       3.123900      0.2140000    
 C   -4.170400       1.481700     -0.3777000    
 C   -3.244300       3.685700     -2.6300000E-02
 C   -4.332000       2.866400     -0.3216000    
 C    6.190700      1.6899999E-02 -0.9331000    
 C    4.914600       1.651300      -2.147000    
 C   -2.101100      -4.674500     -0.9466000    
 H    3.318300      -1.336200       2.045300    
 H    3.668300      -1.338800      0.3063000    
 H    5.369100     -9.8600000E-02   1.620800    
 H    4.132600      0.9496000       2.261200    
 H    1.945100      0.8690000       1.068800    
 H    5.330000       2.103700      0.4793000    
 H    3.627700       1.923300      9.6600004E-02
 H    2.034300      -2.769100      0.7250000    
 H   0.1690000      -4.162900      0.2238000    
 H   -1.159300       3.786500      0.4418000    
 H   -5.035800      0.8670000     -0.6101000    
 H   -3.249100      -3.046400     -0.2915000    
 H   -3.373000       4.763400      1.6799999E-02
 H   -5.307400       3.306300     -0.5083000    
 H    6.478900     -0.4048000      -1.903700    
 H    6.990900      0.6940000     -0.6125000    
 H    6.152600     -0.8366000     -0.2498000    
 H    3.936100       2.132100      -2.255800    
 H    5.670400       2.432700      -2.006500    
 H    5.117700       1.140200      -3.094700    
 H   -1.639600      -5.409000     -0.2791000    
 H   -1.487900      -4.564600      -1.847300    
 H   -3.065800      -5.089100      -1.257600    


%chk=000091362-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000091362

0 1
O 0.478733 1.912158 0.858612
O -3.828855 -1.242006 -0.657427
N 2.016662 -0.147785 0.930909
N 5.175113 0.609777 -0.965242
N -2.358018 -3.345720 -0.626972
C -0.353124 -0.304118 0.325097
C -1.477191 -1.126436 -0.071630
C 0.942175 -0.908148 0.546397
C 3.376048 -0.653954 1.160561
C 4.345336 0.516473 1.415750
C -1.302574 -2.549446 -0.249551
C -0.512250 1.139714 0.502774
C -1.846265 1.741362 0.268722
C 4.585514 1.381661 0.155689
C -2.953369 0.931942 -0.119775
C -2.795307 -0.530274 -0.300138
C 1.078451 -2.330928 0.357389
C 0.002795 -3.116917 -0.023685
C -2.023585 3.140289 0.434126
C -4.221116 1.533074 -0.337437
C -3.282904 3.727000 0.215806
C -4.386828 2.919717 -0.171670
C 6.601867 0.287687 -0.763104
C 4.936467 1.243796 -2.278756
C -2.278966 -4.789281 -0.830734
H 3.387111 -1.349110 2.027220
H 3.737587 -1.205982 0.269293
H 5.303353 0.104247 1.783749
H 3.951623 1.164511 2.223996
H 1.779676 0.865906 1.044317
H 5.223074 2.259781 0.434389
H 3.617510 1.790444 -0.189482
H 2.053310 -2.798827 0.520962
H 0.148051 -4.193235 -0.156094
H -1.155173 3.734472 0.734020
H -5.050811 0.884769 -0.634948
H -3.247461 -2.809466 -0.757916
H -3.414549 4.806996 0.344589
H -5.367030 3.378950 -0.340733
H 6.960274 -0.343022 -1.596220
H 7.253337 1.197784 -0.711895
H 6.741943 -0.282176 0.171828
H 3.852496 1.389655 -2.429418
H 5.439781 2.237413 -2.392773
H 5.307493 0.582537 -3.082753
H -1.984427 -5.327228 0.092997
H -1.559866 -5.060693 -1.629759
H -3.273115 -5.155664 -1.132482


