%chk=000137399.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137399

0 1
 O    1.699200       2.780500      8.2999997E-02
 O    4.175700      -1.261500      9.0800002E-02
 O    4.077100       1.465600      0.1050000    
 O  -0.8825000       2.600500      5.1500000E-02
 O   -5.670400       1.102000     -1.3300000E-02
 N  -0.6259000      -2.851900      2.6400000E-02
 C   0.5279000     -0.7256000      5.1199999E-02
 C   0.5025000      0.6797000      5.8400001E-02
 C  -0.6441000      -1.495600      3.3199999E-02
 C    1.770800      -1.394700      6.2500000E-02
 C   -1.961800     -0.8393000      2.0700000E-02
 C   -2.048200      0.5666000      2.7200000E-02
 C  -0.8045000       1.378800      4.6700001E-02
 C    1.690000       1.416700      7.6600000E-02
 C    2.956600     -0.6431000      8.0799997E-02
 C    2.914100      0.7519000      8.7700002E-02
 C    1.788800      -2.791200      5.5500001E-02
 C   -3.165300      -1.566400      2.4999999E-03
 C   -3.288500       1.218700      1.6000001E-02
 C   0.5789000      -3.461600      3.7700001E-02
 C   -4.463900      0.4727000     -2.2000000E-03
 C   -4.402900     -0.9171000     -8.8999998E-03
 C    2.348500       3.485300     -0.9989000    
 C    4.815100      -1.570500      -1.166100    
 C    4.993700       1.289700       1.208000    
 C   -6.880800      0.3097000     -3.2200001E-02
 H    2.711500      -3.362300      6.9300003E-02
 H   -3.161300      -2.654300     -3.1999999E-03
 H   -3.352700       2.303900      2.1100000E-02
 H   0.5458000      -4.546200      3.3500001E-02
 H   -5.283700      -1.550700     -2.2800000E-02
 H    2.402800       2.870900      -1.903500    
 H    3.347000       3.798600     -0.6831000    
 H    1.755900       4.378100      -1.216200    
 H    5.741800      -2.108100     -0.9500000    
 H    5.053600     -0.6458000      -1.699400    
 H    4.167200      -2.203900      -1.778800    
 H    5.786100      0.5952000      0.9176000    
 H    4.477200      0.9338000       2.105400    
 H    5.444200       2.262300       1.423900    
 H   -6.936400     -0.2923000     -0.9445000    
 H   -7.723100       1.008000     -3.8600001E-02
 H   -6.958300     -0.3021000      0.8720000    


%chk=000137399-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000137399

0 1
O 2.173917 2.469494 -0.350342
O 4.179120 -1.929695 -0.325098
O 4.401455 0.971067 -0.351464
O -0.576552 2.425977 0.687803
O -5.454563 1.342822 0.353715
N -0.722060 -3.020016 -0.428432
C 0.608422 -0.952225 -0.236972
C 0.655934 0.487515 -0.106931
C -0.646390 -1.666989 -0.274365
C 1.813185 -1.729019 -0.331399
C -1.904939 -0.920209 -0.147513
C -1.876116 0.482645 0.120161
C -0.584285 1.224641 0.239333
C 1.931575 1.114855 -0.207757
C 3.096770 -1.065157 -0.258142
C 3.154199 0.340464 -0.208012
C 1.714579 -3.143971 -0.470498
C -3.160575 -1.571654 -0.244389
C -3.080931 1.198974 0.290064
C 0.444102 -3.731594 -0.524229
C -4.321353 0.537081 0.179413
C -4.362949 -0.860372 -0.091284
C 1.274866 3.339269 -1.136260
C 5.536389 -1.532680 0.100334
C 4.801977 1.921591 0.712011
C -6.769152 0.701627 0.259743
H 2.621877 -3.747003 -0.535831
H -3.162200 -2.647903 -0.437868
H -3.043624 2.268637 0.512748
H 0.330586 -4.814341 -0.643722
H -5.316454 -1.389755 -0.177022
H 0.510234 3.770917 -0.473006
H 0.787396 2.758223 -1.939930
H 1.939482 4.106705 -1.562789
H 6.094419 -2.481376 0.126509
H 5.513866 -1.079118 1.107956
H 5.982774 -0.828072 -0.616030
H 4.875788 1.397904 1.685484
H 4.082949 2.752828 0.778532
H 5.792259 2.291197 0.405681
H -6.931704 0.260331 -0.742810
H -7.493904 1.510897 0.430349
H -6.892669 -0.079513 1.034758


