%chk=000085205.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085205

0 1
 O   -4.762000     -8.4700003E-02 -0.6193000    
 O   -3.798900      -2.131600      -1.016400    
 O    8.174200      -3.097200     -0.6651000    
 O    8.792300      -1.477800      0.6820000    
 N   -3.005200       2.090800     -0.2583000    
 N   -5.298100      -1.809400      0.7260000    
 N    2.081000     -0.1563000      0.3140000    
 N    2.850800      0.2950000     -0.5663000    
 N   -2.460200       5.697800     -0.8906000    
 N    7.933800      -2.032900     -4.5600001E-02
 N    4.603300       2.527400       1.663200    
 C   -3.764100       1.934300      -1.477300    
 C   -3.589600       2.869200      0.8345000    
 C   -1.730000       1.527000     -0.1145000    
 C   -4.043100      0.4625000      -1.730400    
 C   -2.721100       4.078200       1.166000    
 C   -6.369600      -4.023200      0.6107000    
 C   -1.274600       1.144100       1.147100    
 C  -0.9159000       1.349800      -1.233400    
 C   -5.300700      -3.145700       1.253800    
 C   -7.781200      -3.462200      0.7971000    
 C  -5.2999998E-03  0.5836000       1.290000    
 C   0.3537000      0.7895000      -1.090700    
 C   0.8086000      0.4062000      0.1711000    
 C   -4.547900      -1.410400     -0.3658000    
 C   -8.818500      -4.324700      9.5200002E-02
 C   -2.576000       4.982700      1.5799999E-02
 C    4.129300     -0.2704000     -0.4221000    
 C    5.098900      0.3291000      0.3820000    
 C    4.420100      -1.453800      -1.101000    
 C    6.650600      -1.437900     -0.1722000    
 C    6.359500     -0.2548000      0.5069000    
 C    5.680900      -2.037400     -0.9761000    
 C    4.825100       1.543300       1.089600    
 H   -3.257200       2.392800      -2.333300    
 H   -4.728100       2.451700      -1.395900    
 H   -4.592400       3.222900      0.5614000    
 H   -3.743500       2.245300       1.722300    
 H   -4.680900      0.3660000      -2.616300    
 H   -3.119000     -8.8900000E-02  -1.930300    
 H   -3.193000       4.628100       1.989400    
 H   -1.729600       3.788600       1.527300    
 H   -6.159500      -4.122500     -0.4617000    
 H   -6.313600      -5.029300       1.043000    
 H   -1.880700       1.243700       2.041800    
 H   -1.225700       1.646800      -2.230400    
 H   -4.313500      -3.593900       1.097300    
 H   -5.469200      -3.069500       2.333200    
 H   -7.848700      -2.445600      0.3941000    
 H   -8.019000      -3.404800       1.865600    
 H   0.3403000      0.2838000       2.275800    
 H   0.9481000      0.6531000      -1.990700    
 H   -5.882100      -1.113100       1.179300    
 H   -8.627600      -4.370200     -0.9818000    
 H   -9.820400      -3.910300      0.2452000    
 H   -8.810800      -5.346000      0.4893000    
 H    3.672000      -1.928600      -1.730700    
 H    7.102600      0.2279000       1.139100    
 H    5.872100      -2.959100      -1.519800    


%chk=000085205-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085205

0 1
O -4.675243 -0.675120 -0.419708
O -4.783845 -2.645756 -1.716206
O 9.935307 -0.522579 1.099471
O 10.017234 -0.723255 -1.174373
N -2.534552 1.256828 0.372201
N -6.084157 -2.352271 0.224704
N 3.073255 0.488584 0.681665
N 3.737910 0.269974 -0.440956
N -4.513150 4.600262 0.453939
N 9.377017 -0.535526 -0.067131
N 4.709930 -0.145660 -3.816151
C -3.279959 1.237519 -0.907713
C -3.326366 1.449573 1.599554
C -1.155402 1.061698 0.423542
C -3.667452 -0.168187 -1.382102
C -3.304375 2.918875 2.132010
C -8.220869 -3.524835 -0.450743
C -0.439530 1.107352 1.669837
C -0.392366 0.806247 -0.773261
C -6.799716 -3.639547 0.148085
C -9.191374 -2.666971 0.392446
C 0.943521 0.910884 1.709088
C 0.987652 0.619332 -0.727688
C 1.689058 0.667028 0.519525
C -5.166531 -1.977299 -0.724014
C -10.608914 -2.604658 -0.216444
C -3.967683 3.858722 1.213265
C 5.132273 0.083153 -0.257622
C 5.888955 -0.128656 -1.459797
C 5.807682 0.085989 0.998165
C 7.915880 -0.322093 -0.135557
C 7.286754 -0.331538 -1.395267
C 7.191595 -0.115085 1.065234
C 5.223440 -0.134012 -2.736645
H -2.689014 1.735865 -1.695992
H -4.196483 1.838577 -0.783103
H -4.363154 1.146652 1.385556
H -2.958749 0.781978 2.398661
H -4.114757 -0.128240 -2.392732
H -2.806393 -0.858884 -1.407853
H -3.817762 2.956547 3.112148
H -2.261800 3.250115 2.291230
H -8.147636 -3.113007 -1.476257
H -8.631952 -4.550236 -0.548983
H -0.963774 1.295124 2.610145
H -0.890911 0.747680 -1.743918
H -6.182984 -4.311097 -0.473472
H -6.852337 -4.069380 1.167283
H -8.791163 -1.636470 0.484972
H -9.247416 -3.080898 1.420820
H 1.486648 0.944895 2.659290
H 1.558712 0.426459 -1.641162
H -6.315495 -1.680841 0.956688
H -10.583546 -2.168817 -1.232603
H -11.287506 -1.987292 0.399793
H -11.050318 -3.615695 -0.296545
H 5.211455 0.248659 1.899751
H 7.880178 -0.493960 -2.298105
H 7.730880 -0.117701 2.016135


