%chk=000041831.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041831

0 1
 O   -1.158100      -1.410600      5.7799999E-02
 O    2.743000     -0.7254000      -1.297700    
 O    2.891800     -0.9833000       1.094400    
 N   -4.508700      7.3899999E-02  0.3827000    
 C   -5.863600     -0.4696000      0.4724000    
 C   -4.541300      0.9883000     -0.7584000    
 C   -6.737100      0.7526000      0.2317000    
 C   -5.869400       1.709300     -0.5803000    
 C   -3.501800     -0.9661000      0.2327000    
 C    2.578800      -1.619500     -0.1693000    
 C   -2.107700     -0.3609000      0.1872000    
 C    1.123000      -2.082400     -0.1286000    
 C   0.1705000     -0.9094000      9.3000000E-03
 C    3.519300      -2.809300     -0.3562000    
 C    3.149600      0.4175000     -0.6785000    
 C    3.234400      0.2703000      0.6871000    
 C    3.453300       1.610800      -1.300500    
 C    3.627600       1.308200       1.506400    
 C    3.854800       2.678100     -0.4937000    
 C    3.941500       2.527600      0.9017000    
 H   -6.063700     -0.9219000       1.448900    
 H   -6.053500      -1.219600     -0.3062000    
 H   -4.536900      0.4504000      -1.715200    
 H   -3.717800       1.708900     -0.7543000    
 H   -7.657800      0.4902000     -0.2992000    
 H   -7.018800       1.223000       1.181100    
 H   -5.734300       2.646500     -2.7500000E-02
 H   -6.326900       1.951300      -1.544900    
 H   -3.670300      -1.576200     -0.6649000    
 H   -3.552000      -1.660200       1.081600    
 H   -1.907400      0.2023000       1.107000    
 H   -1.991400      0.3099000     -0.6707000    
 H   0.8685000      -2.632800      -1.043500    
 H   0.9609000      -2.771400      0.7100000    
 H   0.2599000     -0.2310000     -0.8463000    
 H   0.3688000     -0.3513000      0.9308000    
 H    3.323100      -3.327500      -1.300700    
 H    3.430600      -3.520400      0.4718000    
 H    4.562200      -2.472800     -0.3829000    
 H    3.384800       1.722600      -2.376500    
 H    3.692900       1.188000       2.581700    
 H    4.102500       3.634200     -0.9468000    
 H    4.255400       3.368900       1.513600    


%chk=000041831-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041831

0 1
O -1.266578 -1.272766 -0.009493
O 2.782156 -0.558530 -1.253060
O 2.852726 -0.830225 1.136377
N -4.760241 0.026124 0.258871
C -6.076279 -0.611296 0.523392
C -4.992637 0.958642 -0.879970
C -7.055152 0.578709 0.439492
C -6.443993 1.490202 -0.674411
C -3.649578 -0.926643 0.072550
C 2.516199 -1.560691 -0.147714
C -2.286327 -0.224769 0.115327
C 1.034649 -1.929247 -0.144809
C 0.095950 -0.727800 0.006447
C 3.480243 -2.732867 -0.309863
C 3.493140 0.505870 -0.653458
C 3.535247 0.345650 0.750453
C 4.070250 1.608970 -1.288509
C 4.156374 1.281088 1.582398
C 4.710103 2.569344 -0.454572
C 4.752467 2.408825 0.949928
H -6.075833 -1.108100 1.510059
H -6.332738 -1.380807 -0.251071
H -4.912535 0.421769 -1.860389
H -4.242323 1.769128 -0.882448
H -8.085325 0.255977 0.208570
H -7.070093 1.113826 1.404597
H -6.448975 2.548670 -0.363779
H -7.017924 1.418462 -1.614993
H -3.732567 -1.491859 -0.891075
H -3.676861 -1.668024 0.892120
H -2.172612 0.322536 1.075529
H -2.179169 0.504563 -0.718084
H 0.800903 -2.455348 -1.088392
H 0.851594 -2.638629 0.682911
H 0.235023 -0.013603 -0.832613
H 0.288569 -0.196565 0.962292
H 3.294061 -3.246719 -1.268309
H 3.344692 -3.452274 0.515648
H 4.522575 -2.372298 -0.297783
H 4.029061 1.724687 -2.374848
H 4.179654 1.149006 2.667378
H 5.178007 3.445891 -0.914574
H 5.252798 3.162320 1.566977


