%chk=000030394.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030394

0 1
 O   -3.963900      0.1236000      5.0500002E-02
 O    5.073500     -0.7216000     -4.6000000E-02
 O    5.512200       1.330200     -0.9931000    
 N  -0.8344000       1.388500     -1.9200001E-02
 N   -6.249300      -4.143700     -0.2893000    
 N   -1.678300      0.3450000     -8.3300002E-02
 C   -1.449600       2.597000      0.1673000    
 C   -2.808800       2.310400      0.2285000    
 C   -5.098700      -1.990800     -9.9200003E-02
 C   -4.944100      -3.494400     -0.3029000    
 C   -2.878400      0.9098000      6.7500003E-02
 C   -3.751800      -1.281200     -0.1306000    
 C   0.5387000       1.171600     -0.1415000    
 C  -0.9381000       3.891300      0.2848000    
 C   -3.725400       3.358300      0.4165000    
 C    1.095300     -3.4000002E-02  0.2854000    
 C    1.354500       2.160300     -0.6918000    
 C   -1.863000       4.923700      0.4721000    
 C   -3.233300       4.664000      0.5367000    
 C    3.283400      0.7377000     -0.3878000    
 C   -6.701300      -4.363900       1.085700    
 C   -6.201600      -5.413200      -1.017100    
 C    6.655300      -2.461200      0.4500000    
 C    2.467500     -0.2510000      0.1622000    
 C    2.726800       1.943300     -0.8148000    
 C    8.121100      -2.884600      0.4186000    
 C    6.462100      -1.062500     -0.1183000    
 C    4.714100      0.5117000     -0.5174000    
 C    8.315500      -4.264500       1.026500    
 H   -5.748300      -1.564100     -0.8748000    
 H   -5.585700      -1.761100      0.8558000    
 H   -4.262700      -3.927900      0.4406000    
 H   -4.465000      -3.637000      -1.281100    
 H   -3.118600      -1.670600      0.6767000    
 H   -3.266500      -1.460900      -1.098300    
 H   0.1143000       4.137200      0.3207000    
 H   -4.793100       3.168600      0.4697000    
 H   0.4877000     -0.8196000      0.7280000    
 H   0.9704000       3.062500      -1.153000    
 H   -1.507000       5.944700      0.5872000    
 H   -3.928800       5.485600      0.6870000    
 H   -7.689800      -4.837700       1.088700    
 H   -6.016200      -5.007300       1.650000    
 H   -6.816600      -3.421400       1.629600    
 H   -5.481200      -6.113300     -0.5785000    
 H   -7.187700      -5.890900      -1.023400    
 H   -5.930300      -5.247800      -2.065800    
 H    6.041100      -3.172700     -0.1160000    
 H    6.273700      -2.488800       1.478400    
 H    2.857400      -1.203700      0.5099000    
 H    3.341300       2.715500      -1.270500    
 H    8.484600      -2.890900     -0.6155000    
 H    8.730200      -2.160700      0.9724000    
 H    6.786700      -1.031200      -1.164800    
 H    7.041000     -0.3346000      0.4618000    
 H    7.992900      -4.281700       2.072500    
 H    9.372000      -4.548300      0.9923000    
 H    7.743000      -5.019100      0.4776000    


%chk=000030394-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030394

0 1
O -3.994377 0.078253 0.061631
O 5.281186 -0.752247 -0.017526
O 5.735563 1.415981 -0.748136
N -0.750760 1.478090 0.001025
N -6.377558 -4.225951 -0.388348
N -1.612946 0.345930 -0.025968
C -1.486848 2.670266 0.148482
C -2.870242 2.290152 0.184759
C -5.173732 -2.029456 -0.096969
C -5.074750 -3.570745 -0.126212
C -2.859514 0.850447 0.071536
C -3.785588 -1.391171 -0.077742
C 0.644922 1.252617 -0.101745
C -1.108775 4.027184 0.312694
C -3.892872 3.254439 0.336975
C 1.164950 -0.029373 0.228468
C 1.526782 2.273171 -0.553109
C -2.139608 4.974311 0.469527
C -3.516960 4.603591 0.470688
C 3.434614 0.752182 -0.279809
C -7.370553 -4.002322 0.682348
C -6.213707 -5.663953 -0.687515
C 6.932696 -2.493938 0.359860
C 2.544789 -0.271782 0.141833
C 2.906144 2.020082 -0.633122
C 8.422880 -2.910789 0.330700
C 6.741890 -1.044336 -0.085908
C 4.902690 0.546178 -0.381735
C 8.632751 -4.373710 0.775948
H -5.730708 -1.690776 -0.989076
H -5.727905 -1.684829 0.795123
H -4.615557 -3.931101 0.834370
H -4.386494 -3.870905 -0.941446
H -3.172186 -1.740638 0.775971
H -3.220404 -1.578587 -1.010823
H -0.065338 4.345794 0.350526
H -4.942763 2.947071 0.358335
H 0.470903 -0.810483 0.545364
H 1.138694 3.237293 -0.887636
H -1.871479 6.028496 0.601574
H -4.281801 5.377835 0.590197
H -8.317611 -4.501698 0.411442
H -7.041464 -4.399829 1.677541
H -7.580937 -2.925707 0.794462
H -5.800880 -6.254475 0.170757
H -7.191597 -6.099710 -0.959785
H -5.532735 -5.790505 -1.548135
H 6.344479 -3.159744 -0.300861
H 6.529598 -2.617090 1.383632
H 2.949892 -1.253083 0.403157
H 3.596298 2.794003 -0.984711
H 8.824781 -2.774335 -0.693782
H 9.007929 -2.236063 0.988147
H 7.086125 -0.876424 -1.123699
H 7.274386 -0.330264 0.569976
H 8.263304 -4.530920 1.806745
H 9.702077 -4.651925 0.753367
H 8.087124 -5.071904 0.113835


