%chk=000034754.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034754

0 1
 O    2.387200       2.527200     -0.8744000    
 O    4.214700       1.464700      0.9264000    
 N  -0.2304000      -3.017500     -0.3178000    
 C  -4.1600000E-02  -1.760600      -1.068700    
 C    1.079200     -0.8858000     -0.5214000    
 C   -1.403800      -1.055100      -1.094300    
 C    2.037100      -1.427900      0.3598000    
 C    1.932000      -2.858900      0.8214000    
 C    1.045900      -3.693400     -9.9100001E-02
 C   -1.802900     -0.5904000      0.3015000    
 C    1.230500      0.4465000     -0.9390000    
 C    3.076600     -0.6238000      0.8500000    
 C    2.275800       1.235600     -0.4552000    
 C    3.194100      0.7032000      0.4437000    
 C   -3.135200      0.1140000      0.2822000    
 C   -3.178100       1.485900      8.2199998E-02
 C   -4.297600     -0.6207000      0.4641000    
 C   -4.411000       2.138000      6.4099997E-02
 C   -5.530600      3.1399999E-02  0.4458000    
 C   -5.587200       1.410800      0.2458000    
 C    1.710400       3.518800     -0.1046000    
 C    5.434700       1.458000      0.1875000    
 H   0.2302000      -2.019600      -2.101200    
 H   -2.167700      -1.734500      -1.498100    
 H   -1.384400     -0.2040000      -1.786100    
 H    2.928800      -3.314000      0.8606000    
 H    1.520300      -2.862900       1.838500    
 H    1.545700      -3.884700      -1.057300    
 H   0.8644000      -4.668600      0.3662000    
 H  -0.8568000      -3.630100     -0.8397000    
 H   -1.061900      9.1200002E-02  0.7350000    
 H   -1.864500      -1.435700      0.9987000    
 H   0.5383000      0.8821000      -1.654800    
 H    3.799500      -1.039100       1.548800    
 H   -2.267700       2.060800     -6.2700003E-02
 H   -4.264200      -1.695400      0.6184000    
 H   -4.455200       3.211900     -9.2299998E-02
 H   -6.446700     -0.5349000      0.5866000    
 H   -6.547300       1.918400      0.2313000    
 H    2.092000       3.537200      0.9211000    
 H   0.6318000       3.331400     -0.1010000    
 H    1.894600       4.493900     -0.5638000    
 H    5.272400       1.831900     -0.8282000    
 H    5.856800      0.4486000      0.1537000    
 H    6.145100       2.117500      0.6934000    


%chk=000034754-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034754

0 1
O 2.505003 2.500004 -0.953082
O 4.385013 1.342895 0.982243
N -0.232502 -3.031454 -0.352792
C -0.067560 -1.752129 -1.082775
C 1.095779 -0.937144 -0.499195
C -1.425766 -0.995690 -1.077501
C 2.003800 -1.494589 0.445314
C 1.839584 -2.927563 0.933576
C 1.025206 -3.754668 -0.078264
C -1.893509 -0.545549 0.332493
C 1.298185 0.394394 -0.938627
C 3.089009 -0.709789 0.906757
C 2.362748 1.179313 -0.457837
C 3.288392 0.610780 0.463366
C -3.273361 0.091697 0.295202
C -3.428337 1.475487 0.017210
C -4.443184 -0.686237 0.498944
C -4.710466 2.064839 -0.058262
C -5.728622 -0.102818 0.424604
C -5.867404 1.276444 0.144009
C 2.375038 3.554542 0.079539
C 5.390271 1.740387 -0.030651
H 0.188387 -1.935330 -2.160929
H -2.193822 -1.663851 -1.519881
H -1.366008 -0.117983 -1.748910
H 2.831205 -3.389780 1.101723
H 1.301503 -2.934719 1.901632
H 1.639714 -3.921506 -0.998051
H 0.778793 -4.745176 0.345054
H -0.949884 -3.619904 -0.794718
H -1.153508 0.169401 0.738905
H -1.884734 -1.432396 0.991893
H 0.621491 0.858507 -1.664058
H 3.813510 -1.126361 1.615888
H -2.534563 2.094743 -0.134021
H -4.342229 -1.755306 0.725794
H -4.808428 3.136136 -0.269545
H -6.619491 -0.719899 0.590331
H -6.862753 1.731825 0.088988
H 3.113943 3.409203 0.888200
H 1.352077 3.548315 0.502360
H 2.557265 4.504802 -0.445492
H 4.927990 2.345551 -0.831441
H 5.864693 0.840993 -0.467686
H 6.140830 2.330982 0.516794


