%chk=000041244.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041244

0 1
 O  -0.9024000       2.745400      0.4633000    
 N  -0.1787000      0.5291000      0.5211000    
 N   -3.555900     -0.9061000     -0.2039000    
 C    1.955200       1.010600      -1.468200    
 C    2.214900       2.300700     -0.7050000    
 C   0.8711000     -0.4348000      0.3290000    
 C    1.933600     -0.2027000     -0.5738000    
 C    1.446700       2.407300      0.6008000    
 C   -1.523300      2.1199999E-02  0.7905000    
 C   1.3800000E-02   1.919400      0.4934000    
 C   -2.230200     -0.3767000     -0.4969000    
 C   0.8339000      -1.659100       1.020600    
 C    2.951500      -1.161700     -0.7129000    
 C    1.850200      -2.604300      0.8676000    
 C    2.913100      -2.352000      8.9999996E-03
 C   -4.227600      -1.326500      -1.435200    
 C   -4.365700      9.0000004E-02  0.5005000    
 H    2.714400      0.9027000      -2.253000    
 H   0.9977000       1.068700      -2.002700    
 H    3.285900       2.392100     -0.4846000    
 H    1.960200       3.146700      -1.355200    
 H    1.434200       3.452600      0.9325000    
 H    1.953200       1.850900       1.399000    
 H   -1.524900     -0.7871000       1.524300    
 H   -2.062100      0.8380000       1.283200    
 H   -2.282300      0.4833000      -1.178500    
 H   -1.637300      -1.146300      -1.007100    
 H   6.0400002E-02  -1.903600       1.740100    
 H    3.774700     -0.9936000      -1.403200    
 H    1.814700      -3.533800       1.428800    
 H    3.704300      -3.086300     -0.1095000    
 H   -3.639300      -2.092900      -1.952100    
 H   -4.387500     -0.4899000      -2.125200    
 H   -5.199400      -1.779300      -1.209200    
 H   -5.406700     -0.2484000      0.5736000    
 H   -4.369400       1.062300     -5.5999998E-03
 H   -4.042500      0.2207000       1.537700    


%chk=000041244-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041244

0 1
O -0.736147 2.799199 1.046435
N -0.123030 0.565706 0.733750
N -3.554312 -0.790075 -0.232656
C 1.711536 1.054446 -1.485327
C 2.179823 2.317041 -0.706085
C 0.879546 -0.426226 0.423039
C 1.794598 -0.214213 -0.654203
C 1.651961 2.319799 0.756538
C -1.535169 0.140144 0.913211
C 0.176013 1.937701 0.849600
C -2.191017 -0.249990 -0.431620
C 0.936918 -1.627519 1.173700
C 2.763142 -1.210671 -0.924096
C 1.901117 -2.613628 0.877398
C 2.824237 -2.405467 -0.172612
C -4.016838 -1.592808 -1.383228
C -4.541964 0.244146 0.143742
H 2.308460 0.944078 -2.408337
H 0.658858 1.210789 -1.795357
H 3.285294 2.361786 -0.678903
H 1.825681 3.221035 -1.235626
H 1.751657 3.326789 1.193546
H 2.254990 1.616971 1.360856
H -1.596754 -0.722593 1.598678
H -2.056418 0.994974 1.372917
H -2.178594 0.638627 -1.114051
H -1.578714 -1.040312 -0.906036
H 0.237482 -1.784416 2.001022
H 3.467158 -1.049332 -1.749643
H 1.936093 -3.534179 1.470234
H 3.577385 -3.165580 -0.406326
H -3.297508 -2.406649 -1.583568
H -4.138517 -0.996971 -2.323724
H -4.993725 -2.051496 -1.145420
H -5.515819 -0.235515 0.348336
H -4.693188 1.014314 -0.654779
H -4.225733 0.766697 1.061794


