%chk=000034587.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034587

0 1
 O   0.3792000      0.7444000      0.4285000    
 O   2.9700000E-02  0.3641000      -1.814700    
 N    3.964500     -5.9000002E-03  1.7200001E-02
 N   -5.726500     -0.6399000      0.8231000    
 C    2.547700     -0.2545000      0.2817000    
 C    4.721700      -1.255800      7.2999999E-02
 C    4.501300      0.9601000      0.9748000    
 C    1.748800       1.035200      0.1820000    
 C   -1.775000      0.1439000     -0.2722000    
 C    4.159000      -2.252200     -0.9225000    
 C    5.953800       1.259000      0.6564000    
 C   -2.136700      -1.148500      5.8499999E-02
 C   -2.685000       1.184200     -0.2500000    
 C  -0.3698000      0.4226000     -0.6622000    
 C   -3.457000      -1.410200      0.4250000    
 C   -4.005200      0.9224000      0.1166000    
 C   -4.391200     -0.3748000      0.4541000    
 C   -1.158400      -2.277700      3.7400000E-02
 C   -2.301000       2.583500     -0.6066000    
 H    2.389200     -0.7158000       1.265900    
 H    2.112800     -0.9401000     -0.4525000    
 H    5.763300      -1.095800     -0.2231000    
 H    4.723300      -1.694600       1.078600    
 H    3.996300       1.926400      0.8938000    
 H    4.404900      0.6159000       2.011900    
 H    1.888500       1.539100     -0.7825000    
 H    2.014300       1.751500      0.9632000    
 H    3.231300      -2.717900     -0.5752000    
 H    3.989800      -1.801200      -1.906600    
 H    4.875800      -3.069700      -1.062900    
 H    6.625900      0.4496000      0.9579000    
 H    6.105300       1.472100     -0.4075000    
 H    6.274700       2.147500       1.212600    
 H   -3.763000      -2.420000      0.6892000    
 H   -4.737500       1.726400      0.1406000    
 H  -0.7253000      -2.393200     -0.9617000    
 H  -0.3560000      -2.103100      0.7618000    
 H   -1.630100      -3.231700      0.2973000    
 H   -1.536400       2.958800      8.1500001E-02
 H   -1.919200       2.627700      -1.631900    
 H   -3.154200       3.268300     -0.5492000    
 H   -6.403800      0.1108000      0.8468000    
 H   -6.006400      -1.579700       1.070200    


%chk=000034587-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000034587

0 1
O 0.410388 0.662581 0.787663
O 0.197954 0.318316 -1.501258
N 4.087986 -0.190582 0.314225
N -5.930944 -0.537363 0.607406
C 2.638842 -0.447467 0.511203
C 4.569593 -0.535686 -1.049057
C 4.948069 -0.717802 1.406352
C 1.870052 0.888902 0.566656
C -1.780454 0.109629 -0.067380
C 3.917529 0.311325 -2.158945
C 6.319703 -0.020199 1.497913
C -2.231750 -0.483495 1.163162
C -2.746152 0.463578 -1.075091
C -0.341977 0.346092 -0.359744
C -3.609715 -0.698860 1.360980
C -4.115993 0.252778 -0.829586
C -4.573343 -0.328838 0.383741
C -1.296410 -0.940183 2.273369
C -2.357622 1.088856 -2.405214
H 2.465425 -1.001359 1.454716
H 2.223337 -1.066313 -0.309998
H 5.661531 -0.369184 -1.073713
H 4.403158 -1.622770 -1.268408
H 4.410495 -0.549741 2.358420
H 5.100407 -1.824885 1.315638
H 2.015466 1.452674 -0.368793
H 2.186821 1.493383 1.430825
H 2.821833 0.175037 -2.199252
H 4.127755 1.383722 -1.995752
H 4.328953 0.021182 -3.143808
H 6.949063 -0.216403 0.611715
H 6.183840 1.071929 1.587768
H 6.872668 -0.383724 2.384073
H -3.945742 -1.168650 2.293871
H -4.845090 0.544997 -1.595499
H -0.459988 -1.546404 1.883721
H -0.839710 -0.078934 2.789156
H -1.849187 -1.545069 3.013047
H -1.691677 1.960063 -2.273906
H -1.795129 0.375284 -3.030766
H -3.258257 1.415590 -2.953196
H -6.619703 -0.280407 -0.093680
H -6.258625 -0.950400 1.475726


