%chk=000088577.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088577

0 1
 O  -0.7150000      0.8869000      6.4499997E-02
 N   -2.727100     -0.2642000      0.1705000    
 N   -5.579000     -0.1618000      7.0600003E-02
 N  -0.5621000      -1.368500      0.1324000    
 C   -3.513200      -1.501000      0.2373000    
 C   -3.431000      0.9385000      0.6242000    
 C   -4.852400      -1.314700     -0.4778000    
 C   -4.781300       1.061200     -8.7899998E-02
 C   -1.351300     -0.3160000      0.1254000    
 C   -6.879000     -1.5799999E-02 -0.5832000    
 C   0.6044000      0.5507000      3.0200001E-02
 C   0.6928000     -0.8186000      7.1800001E-02
 C    1.527500       1.646500     -3.7000000E-02
 C    1.901600      -1.582100      5.5399999E-02
 C    2.760900       1.491000     -0.6789000    
 C    1.203300       2.879600      0.5389000    
 C    2.537600      -1.918400       1.254000    
 C    2.455100      -1.997000      -1.159400    
 C    3.659400       2.555900     -0.7439000    
 C    2.101900       3.944500      0.4740000    
 C    3.716900      -2.662900       1.238000    
 C    3.634400      -2.741700      -1.175200    
 C    3.330000       3.782600     -0.1675000    
 C    4.265300      -3.074600      2.3499999E-02
 H   -3.672800      -1.774700       1.287800    
 H   -2.979600      -2.332000     -0.2400000    
 H   -2.858500       1.850700      0.4203000    
 H   -3.577000      0.8832000       1.710400    
 H   -4.681000      -1.188900      -1.555400    
 H   -5.443900      -2.228500     -0.3440000    
 H   -5.318600       1.915900      0.3404000    
 H   -4.614900       1.278800      -1.151600    
 H   -7.436600      0.8204000     -0.1469000    
 H   -7.488800     -0.9131000     -0.4304000    
 H   -6.784700      0.1577000      -1.661300    
 H    3.049400      0.5714000      -1.171300    
 H   0.2562000       3.032400       1.051500    
 H    2.123700      -1.605600       2.210000    
 H    1.975500      -1.748200      -2.103400    
 H    4.612500       2.432900      -1.250000    
 H    1.846300       4.899400      0.9238000    
 H    4.208300      -2.922100       2.171200    
 H    4.061500      -3.062600      -2.120800    
 H    4.029000       4.612200     -0.2194000    
 H    5.183700      -3.654400      1.1000000E-02


%chk=000088577-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088577

0 1
O -0.695450 1.002738 0.395695
N -2.732785 -0.218902 0.334300
N -5.532397 -0.175383 -0.198954
N -0.554323 -1.268490 0.064859
C -3.486640 -1.488100 0.300765
C -3.513792 0.990020 0.655729
C -4.713869 -1.339504 -0.617241
C -4.741810 1.076654 -0.270659
C -1.369525 -0.228557 0.259698
C -6.803083 -0.081840 -0.943906
C 0.705429 0.665716 0.243899
C 0.761081 -0.721194 0.072599
C 1.613485 1.809976 0.227072
C 1.910477 -1.641343 -0.026931
C 2.860424 1.764544 -0.463154
C 1.240968 3.025916 0.873142
C 3.165544 -1.358980 0.579858
C 1.741986 -2.883857 -0.698276
C 3.711657 2.887479 -0.480549
C 2.094508 4.147401 0.846098
C 4.229294 -2.280876 0.489664
C 2.808455 -3.802363 -0.790216
C 3.338691 4.085255 0.175464
C 4.060043 -3.504212 -0.201624
H -3.827200 -1.743094 1.325381
H -2.812372 -2.282585 -0.056500
H -2.874165 1.877927 0.532788
H -3.858400 0.941316 1.709568
H -4.368329 -1.240662 -1.678479
H -5.332094 -2.253242 -0.543740
H -5.379595 1.919504 0.054492
H -4.396007 1.288547 -1.315381
H -7.405210 0.755442 -0.548103
H -7.382101 -1.012550 -0.807311
H -6.662999 0.080952 -2.042420
H 3.150135 0.857281 -1.002210
H 0.279971 3.078568 1.394399
H 3.300924 -0.430198 1.143622
H 0.763633 -3.112744 -1.131995
H 4.663761 2.832216 -1.020459
H 1.790057 5.070923 1.351608
H 5.187229 -2.050068 0.969485
H 2.663042 -4.752682 -1.316402
H 4.002541 4.956524 0.156688
H 4.888207 -4.218475 -0.270561


