%chk=000041318.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041318

0 1
 O    2.048300      0.9165000      0.8332000    
 O    1.321800      0.5471000      -2.624100    
 O    3.857200     -0.5022000      0.5270000    
 N    1.433200      0.2867000     -0.2965000    
 C  -0.7621000     -0.7470000     -1.7100001E-02
 C   -3.007700      -1.561400      0.2701000    
 C   -1.547600      -1.917300      8.2699999E-02
 C   -1.631500      0.4043000      9.5299996E-02
 C   -2.959500     -4.7800001E-02  0.2651000    
 C   0.6090000     -0.8329000     -0.1925000    
 C  -0.9804000      -3.177300      9.4999997E-03
 C   -1.348800       1.759500      6.1000001E-02
 C   -4.013100      0.8388000      0.4016000    
 C    1.188500      -2.103300     -0.2670000    
 C   0.4018000      -3.263500     -0.1671000    
 C   -2.409000       2.660800      0.1985000    
 C   -3.727800       2.204900      0.3670000    
 C    1.741600      0.9081000      -1.523900    
 C    2.652800       2.115600      -1.462200    
 C    3.283300      0.3981000       1.125100    
 C    3.850200       1.112200       2.314500    
 H   -3.377300      -1.934200       1.229800    
 H   -3.607500      -1.932800     -0.5659000    
 H   -1.586000      -4.073400      8.5500002E-02
 H  -0.3476000       2.150800     -6.1200000E-02
 H   -5.031000      0.4887000      0.5320000    
 H    2.257700      -2.221800     -0.4204000    
 H   0.8762000      -4.239200     -0.2320000    
 H   -2.212100       3.729600      0.1763000    
 H   -4.533900       2.926300      0.4720000    
 H    2.649000       2.620800      -2.433200    
 H    3.676000       1.803200      -1.241600    
 H    2.303000       2.830600     -0.7129000    
 H    4.833800      0.6969000       2.551700    
 H    3.966300       2.174900       2.087500    
 H    3.195500      0.9714000       3.178100    


%chk=000041318-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041318

0 1
O 1.793227 1.094126 0.496602
O 1.944679 0.009932 -2.967921
O 3.614638 -0.366510 0.868876
N 1.487484 0.318021 -0.726802
C -0.687275 -0.719233 -0.094802
C -2.874282 -1.543035 0.533392
C -1.459866 -1.906706 0.102419
C -1.544503 0.451714 0.185906
C -2.843196 -0.021838 0.554518
C 0.662331 -0.839944 -0.515436
C -0.912358 -3.179352 -0.126417
C -1.285089 1.841756 0.132316
C -3.875821 0.879157 0.866120
C 1.217293 -2.124282 -0.739512
C 0.434719 -3.283819 -0.556422
C -2.329749 2.743357 0.439301
C -3.614713 2.270549 0.804987
C 2.164604 0.662511 -1.910149
C 3.117488 1.844647 -1.823401
C 2.898430 0.564427 1.263621
C 2.972671 1.321520 2.567625
H -3.126459 -1.966690 1.525638
H -3.630511 -1.931000 -0.176946
H -1.516975 -4.081811 0.018641
H -0.293811 2.215470 -0.134240
H -4.870656 0.515811 1.148822
H 2.258942 -2.197765 -1.062878
H 0.877211 -4.267851 -0.742922
H -2.143317 3.822400 0.396723
H -4.410213 2.986127 1.041664
H 3.411073 2.115869 -2.848062
H 4.024639 1.566744 -1.256579
H 2.655182 2.712006 -1.322906
H 4.008751 1.317010 2.938835
H 2.605866 2.353112 2.452596
H 2.331866 0.815270 3.312695


