%chk=000041942.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041942

0 1
 O    2.225000       1.811000     -0.8868000    
 N    2.605000      0.2208000      0.7718000    
 C  -0.3942000      8.8999998E-03 -0.4228000    
 C   0.3569000      0.9049000      0.2573000    
 C    4.033000      0.1645000      0.6419000    
 C    4.483000     -0.8857000     -0.3665000    
 C   -1.846500     -0.1638000     -0.1848000    
 C    1.822300       1.048400     -1.3300000E-02
 C   0.1466000     -0.8872000      -1.508300    
 C  -0.1446000       1.843500       1.316600    
 C    4.016100      -2.288200     -3.4000000E-03
 C   -2.740300      0.5940000     -0.9166000    
 C   -2.266700      -1.077700      0.7623000    
 C   -4.107400      0.4318000     -0.6925000    
 C   -3.633900      -1.239900      0.9862000    
 C   -4.554200     -0.4851000      0.2588000    
 H    4.440900     -6.0600001E-02   1.633100    
 H    4.408500       1.148800      0.3410000    
 H    4.102800     -0.6334000      -1.363500    
 H    5.577300     -0.8766000     -0.4270000    
 H    2.162400     -0.3851000       1.457200    
 H   3.1199999E-02  -1.939600      -1.225800    
 H  -0.3935000     -0.7227000      -2.447400    
 H    1.207100     -0.7255000      -1.719800    
 H   0.3545000       1.638800       2.269900    
 H   -1.221300       1.772200       1.490700    
 H   7.0100002E-02   2.879800       1.033700    
 H    2.924600      -2.366600     -2.3200000E-02
 H    4.414500      -3.013600     -0.7199000    
 H    4.364900      -2.571600      0.9948000    
 H   -2.403600       1.311300      -1.660000    
 H   -1.558600      -1.670700       1.334500    
 H   -4.824100       1.019400      -1.258700    
 H   -3.982000      -1.953800       1.727000    
 H   -5.618800     -0.6115000      0.4332000    


%chk=000041942-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041942

0 1
O 2.431216 2.120145 0.326915
N 2.532142 -0.161839 0.775247
C -0.390671 0.014795 -0.209606
C 0.322171 0.907781 0.558637
C 4.004254 -0.210105 0.818764
C 4.650451 -0.749495 -0.480724
C -1.882054 -0.114774 -0.092008
C 1.834938 1.010728 0.511829
C 0.247049 -0.895824 -1.254813
C -0.292785 1.989853 1.431458
C 4.298414 -2.221306 -0.785669
C -2.720613 -0.090766 -1.240787
C -2.494551 -0.318181 1.176462
C -4.119247 -0.245759 -1.124770
C -3.891459 -0.484192 1.294384
C -4.712104 -0.446574 0.143375
H 4.311616 -0.835708 1.679761
H 4.344440 0.824565 1.000257
H 4.343965 -0.099585 -1.322171
H 5.749180 -0.643911 -0.381014
H 1.995290 -1.010715 0.957527
H 0.152740 -1.962949 -0.970927
H -0.277245 -0.790480 -2.222549
H 1.310204 -0.666178 -1.424388
H -0.128690 1.792826 2.509335
H -1.374568 2.101216 1.260705
H 0.213026 2.945394 1.202418
H 3.210609 -2.352404 -0.938697
H 4.805113 -2.569629 -1.703748
H 4.609446 -2.886615 0.042678
H -2.281626 0.077828 -2.230739
H -1.862899 -0.360954 2.070960
H -4.746004 -0.207798 -2.022950
H -4.337989 -0.646807 2.281920
H -5.796757 -0.573383 0.232627


