%chk=000081198.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081198

0 1
 O   -1.284600      6.0300000E-02 -0.7280000    
 O    1.013500      -1.145000     -0.4250000    
 O   -2.753500      -2.392700       1.144900    
 N    2.209800      0.8665000     -0.1915000    
 N   -3.565600      -2.532000     -0.9951000    
 C   -2.494600      0.5088000     -0.2896000    
 C   -3.473000     -0.3832000      0.1493000    
 C  -0.1658000      0.9233000     -0.5361000    
 C    3.543300      0.4301000     -8.8000000E-03
 C   -2.747900       1.880400     -0.2829000    
 C    1.080300      7.9599999E-02 -0.3769000    
 C   -4.704800      9.6400000E-02  0.5947000    
 C   -3.979600       2.360200      0.1626000    
 C   -4.958000       1.468100      0.6014000    
 C    4.546700       1.369500      0.1622000    
 C    3.817100     -0.9277000     -3.8000001E-03
 C   -3.229200      -1.819000      0.1507000    
 C    5.861100      0.9391000      0.3433000    
 C    5.131400      -1.358100      0.1774000    
 C    6.153400     -0.4247000      0.3509000    
 H  -0.2591000       1.521800      0.3796000    
 H  -4.6999998E-02   1.570300      -1.412100    
 H   -2.027500       2.608900     -0.6431000    
 H   -5.475400     -0.5886000      0.9390000    
 H    2.079400       1.875900     -0.1833000    
 H   -4.180000       3.427800      0.1617000    
 H   -5.917500       1.841600      0.9469000    
 H    4.329800       2.434100      0.1582000    
 H    3.082900      -1.709400     -0.1306000    
 H    6.656800       1.665800      0.4785000    
 H    5.360600      -2.419900      0.1837000    
 H    7.176800     -0.7599000      0.4920000    
 H   -3.962000      -2.081300      -1.813800    
 H   -3.422900      -3.535200      -1.046100    


%chk=000081198-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081198

0 1
O -1.353514 0.188638 0.252642
O 0.876468 -1.105544 -0.364859
O -4.515925 -2.604937 0.108716
N 2.201213 0.790632 0.072575
N -2.218349 -2.325793 -0.001708
C -2.672964 0.663920 0.110406
C -3.698580 -0.324700 0.062758
C -0.230969 1.060524 -0.016716
C 3.530992 0.275871 -0.033722
C -2.976750 2.044159 0.053323
C 0.997691 0.126066 -0.113336
C -5.038794 0.127087 -0.020439
C -4.323071 2.458826 -0.041762
C -5.359375 1.499054 -0.072332
C 4.597179 1.185159 0.199349
C 3.811406 -1.077849 -0.356787
C -3.501387 -1.832878 0.068537
C 5.933766 0.747848 0.110347
C 5.156436 -1.498343 -0.443348
C 6.221879 -0.598726 -0.212815
H -0.102314 1.810410 0.792652
H -0.369407 1.595576 -0.980329
H -2.180780 2.794587 0.097287
H -5.811037 -0.649068 -0.048381
H 2.142116 1.782346 0.320903
H -4.556095 3.528523 -0.084528
H -6.404549 1.817102 -0.140100
H 4.382009 2.232595 0.449860
H 2.988858 -1.773650 -0.528780
H 6.747770 1.457623 0.292836
H 5.369022 -2.543788 -0.692472
H 7.260020 -0.939734 -0.282017
H -1.390482 -1.719606 -0.024047
H -2.117586 -3.340129 -0.023415


