%chk=000034461.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034461

0 1
 O   -1.891700       1.161200     -0.7328000    
 O    3.883600      -1.238900       1.074900    
 N   -2.229300      -1.403500      0.1332000    
 N    5.303300      0.4971000      0.4672000    
 N    6.023700      0.4324000       1.642200    
 C   -1.207000      -1.614300     -0.8910000    
 C  -0.1824000     -0.5112000     -0.8962000    
 C   -3.449900      -2.134700     -0.2049000    
 C   -1.732000      -1.817700       1.444600    
 C  -0.5740000      0.8252000     -0.8169000    
 C    1.171100     -0.8373000     -0.9810000    
 C    2.133100      0.1728000     -0.9862000    
 C   0.3878000       1.835500     -0.8221000    
 C    1.741400       1.509300     -0.9068000    
 C   -4.015000      -1.673100      -1.537500    
 C   -2.782000      -1.605500       2.522000    
 C    3.580200     -0.1754000      -1.077500    
 C   -2.302800       1.887000      0.4240000    
 C   -3.799400       2.143700      0.3372000    
 C    4.249600     -0.3811000      0.2747000    
 C   -4.308100       2.928600       1.533000    
 H   -1.600300      -1.600600      -1.911600    
 H  -0.7340000      -2.598800     -0.7737000    
 H   -4.238700      -1.930700      0.5262000    
 H   -3.288200      -3.219700     -0.2246000    
 H   -1.418300      -2.869500       1.450200    
 H  -0.8551000      -1.217200       1.714800    
 H    1.479000      -1.878500      -1.042100    
 H   0.1033000       2.882900     -0.7793000    
 H    2.481400       2.305200     -0.9123000    
 H   -4.003600     -0.5828000      -1.637000    
 H   -3.501100      -2.117500      -2.394900    
 H   -5.061600      -1.990500      -1.616000    
 H   -3.567700      -2.367100       2.497100    
 H   -3.242700     -0.6140000       2.457500    
 H   -2.310600      -1.679800       3.508600    
 H    4.105700      0.5907000      -1.661300    
 H    3.712400      -1.105000      -1.646500    
 H   -1.781000       2.849400      0.4754000    
 H   -2.063300       1.315200       1.327700    
 H   -4.333100       1.188500      0.2677000    
 H   -4.027700       2.685000     -0.5887000    
 H   -4.123300       2.385400       2.465400    
 H   -3.817000       3.904500       1.600100    
 H   -5.386100       3.096400       1.445800    
 H    5.574300       1.194600     -0.2186000    
 H    5.971200       1.354900       2.072300    
 H    7.000200      0.2980000       1.383300    


%chk=000034461-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034461

0 1
O -1.906898 1.638470 -1.307893
O 3.602426 -1.811242 0.481927
N -1.936551 -1.373448 0.315030
N 4.866515 0.071431 0.981999
N 5.282772 -0.386947 2.261727
C -1.301203 -1.220948 -1.034953
C -0.222447 -0.151380 -1.095182
C -3.146063 -2.243939 0.226978
C -0.964927 -1.873696 1.332208
C -0.555799 1.229649 -1.201079
C 1.146624 -0.507855 -1.102143
C 2.176766 0.462826 -1.179821
C 0.458304 2.208718 -1.289238
C 1.818232 1.828948 -1.273768
C -4.365754 -1.549658 -0.407921
C -1.421130 -1.613476 2.780037
C 3.642588 0.035050 -1.162327
C -2.566452 1.959157 -0.008395
C -3.987941 2.426893 -0.325797
C 4.024451 -0.661977 0.153882
C -4.774919 2.769067 0.958841
H -2.102720 -0.947628 -1.742354
H -0.864700 -2.194631 -1.373223
H -3.415038 -2.548488 1.254047
H -2.915479 -3.186714 -0.333976
H -0.755323 -2.964591 1.187404
H -0.008450 -1.348145 1.167413
H 1.423667 -1.566393 -1.027595
H 0.165593 3.258973 -1.393713
H 2.598016 2.596969 -1.350004
H -4.641399 -0.652124 0.173033
H -4.175235 -1.235446 -1.449399
H -5.230857 -2.238660 -0.419488
H -2.349032 -2.155777 3.037284
H -1.602564 -0.534673 2.932548
H -0.638187 -1.942057 3.488534
H 4.296387 0.906546 -1.350289
H 3.833619 -0.700426 -1.965894
H -1.987499 2.759867 0.500426
H -2.559707 1.041609 0.613947
H -4.504544 1.627112 -0.888847
H -3.939408 3.307721 -0.993611
H -4.847928 1.891462 1.628759
H -4.286370 3.584486 1.525001
H -5.801942 3.096062 0.716882
H 5.164301 1.016891 0.737945
H 4.461853 -0.614234 2.841521
H 5.888653 -1.214253 2.165138


