%chk=000108041.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108041

0 1
 O  -0.2719000      0.7817000      0.5048000    
 O   7.9700001E-02 -0.5069000      -1.405600    
 N    8.283600      9.3400002E-02  0.6874000    
 N    6.002400      0.4204000      0.8519000    
 N    6.972200     -0.8448000     -0.9094000    
 N   -8.765700      -1.466000      0.2928000    
 N   -8.520500      0.4856000     -0.9690000    
 C    9.272000     -0.5417000     -0.1297000    
 C    8.395700      -1.183700      -1.212700    
 C   -3.770200     -0.3361000      0.5448000    
 C   -4.371500      0.6693000     -0.2494000    
 C    7.035900     -0.1232000      0.1841000    
 C    4.631400      0.3404000      0.5308000    
 C   -2.388200     -0.2838000      0.7886000    
 C   -5.753700      0.6170000     -0.4934000    
 C   -1.610100      0.7452000      0.2572000    
 C   -3.572900       1.697300     -0.7763000    
 C   -4.568800      -1.364100       1.071500    
 C   -6.531800     -0.4118000      3.8199998E-02
 C   -2.201300       1.733700     -0.5237000    
 C   -5.940400      -1.400400      0.8191000    
 C    1.948900      0.1844000     -9.7199999E-02
 C    4.134700     -0.7813000     -0.1332000    
 C    3.772100       1.383300      0.8771000    
 C    2.778700     -0.8600000     -0.4507000    
 C    2.416200       1.304300      0.5598000    
 C   0.5054000      9.9600002E-02 -0.4341000    
 C   -7.961800     -0.4515000     -0.2239000    
 H    9.833400      -1.294200      0.4315000    
 H    9.967800      0.1869000     -0.5559000    
 H    8.657300     -0.8028000      -2.205600    
 H    8.516800      -2.272200      -1.220700    
 H    8.501300      0.6269000       1.519900    
 H    6.216900       1.089800       1.585700    
 H   -1.911200      -1.049300       1.398300    
 H   -6.204900       1.395700      -1.105500    
 H   -4.013100       2.480800      -1.389500    
 H   -4.127100      -2.147200       1.684500    
 H   -1.600600       2.538100     -0.9397000    
 H   -6.497900      -2.221600       1.256000    
 H    4.754600      -1.636700     -0.3798000    
 H    4.147500       2.264500       1.391200    
 H    2.400500      -1.744100     -0.9555000    
 H    1.769800       2.134500      0.8280000    
 H   -9.761500      -1.477200      9.7400002E-02
 H   -8.420100      -2.221200      0.8716000    
 H   -9.524400      0.2856000      -1.038900    


%chk=000108041-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108041

0 1
O -0.309951 0.104791 0.053870
O 0.327558 -0.452820 -2.145793
N 8.411909 0.135834 1.080852
N 6.017514 0.192124 0.997274
N 7.384848 -0.437350 -0.905949
N -9.053920 -0.955420 0.805011
N -8.743245 0.883417 -0.740347
C 9.576249 -0.183806 0.229144
C 8.862334 -0.549454 -1.132709
C -3.954866 -0.308917 0.638641
C -4.520411 0.318582 -0.540274
C 7.230049 -0.048191 0.344980
C 4.710792 0.093764 0.476765
C -2.533016 -0.385898 0.775589
C -5.939583 0.392736 -0.680530
C -1.707842 0.139087 -0.217637
C -3.629179 0.847548 -1.533298
C -4.847826 -0.825164 1.634127
C -6.796603 -0.132063 0.295702
C -2.245227 0.767573 -1.386408
C -6.230453 -0.741016 1.468299
C 2.024445 -0.064923 -0.436999
C 4.440834 -0.283713 -0.870009
C 3.627263 0.389631 1.356168
C 3.109206 -0.356184 -1.308059
C 2.301984 0.309718 0.906148
C 0.648577 -0.163706 -0.970805
C -8.279261 -0.036048 0.084878
H 10.155744 -1.034311 0.636298
H 10.254466 0.683959 0.124837
H 9.161937 0.137777 -1.944710
H 9.107981 -1.576849 -1.455768
H 8.484121 0.445538 2.046784
H 6.079899 0.467453 1.978053
H -2.083434 -0.852224 1.658256
H -6.390566 0.870846 -1.556547
H -4.054046 1.324655 -2.423616
H -4.428540 -1.280866 2.538852
H -1.574067 1.162806 -2.150875
H -6.885521 -1.103934 2.268907
H 5.283090 -0.509183 -1.528563
H 3.831642 0.681751 2.394643
H 2.884895 -0.643882 -2.340755
H 1.472494 0.535717 1.580845
H -10.069181 -0.927416 0.739411
H -8.630216 -1.747098 1.283418
H -9.777679 0.851731 -0.855301


