%chk=000094153.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094153

0 1
 O   -2.930500     -0.1810000      2.2500001E-02
 O    1.469300      -1.231600      0.6336000    
 O  -0.4766000      0.2369000       1.674100    
 O   0.1944000      -4.185700     -0.9514000    
 O  -0.4879000      -3.102800      0.9325000    
 N   -1.099000       1.984500      0.2818000    
 C   -3.372400       1.167200     -0.1221000    
 C   -2.469300       2.067300      0.7140000    
 C   -3.313000       1.545400      -1.595600    
 C    1.182600       1.122100      0.2733000    
 C  -0.2029000       1.061800      0.8062000    
 C    1.946300     -2.5800001E-02  0.2143000    
 C    1.662600       2.345700     -0.1500000    
 C    3.244700      5.2200001E-02 -0.2893000    
 C    2.961200       2.423700     -0.6533000    
 C    3.752200       1.277000     -0.7230000    
 C   -3.749200      -1.075300     -0.7156000    
 C    1.415100      -2.278400     -0.3333000    
 C   0.2724000      -3.203300     -1.8600000E-02
 H   -4.399000       1.260200      0.2531000    
 H   -2.779200       3.114500      0.6360000    
 H   -2.520100       1.770100       1.767500    
 H  -0.8217000       2.600500     -0.4751000    
 H   -3.424700       2.627000      -1.728400    
 H   -2.373300       1.231000      -2.063200    
 H   -4.125200       1.077000      -2.162000    
 H    1.090900       3.265500     -8.0600001E-02
 H    3.876200     -0.8305000     -0.3417000    
 H    3.359800       3.378600     -0.9836000    
 H    4.764600       1.338600      -1.111500    
 H   -3.544900      -2.087500     -0.3535000    
 H   -4.814200     -0.8717000     -0.5642000    
 H   -3.495300      -1.057000      -1.779200    
 H    1.255100      -1.871400      -1.339100    
 H    2.349700      -2.846800     -0.2912000    
 H  -0.5452000      -4.804200     -0.7705000    


%chk=000094153-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094153

0 1
O -2.819762 -0.064940 -0.353848
O 0.891244 -1.075641 0.020448
O -0.346747 0.868087 2.128083
O 0.880355 -4.662336 0.025490
O -0.903301 -3.226586 -0.394874
N -1.137187 2.043886 0.266400
C -3.466067 1.243956 -0.228004
C -2.537317 2.059156 0.706875
C -3.699676 1.906580 -1.603456
C 1.179901 1.283627 0.270380
C -0.162452 1.349901 0.972830
C 1.737861 0.035368 -0.127660
C 1.942700 2.458401 0.085981
C 3.046904 -0.027998 -0.663304
C 3.246189 2.408366 -0.463033
C 3.794716 1.161429 -0.827256
C -3.682237 -1.152663 -0.809136
C 1.439361 -2.378887 -0.308831
C 0.313907 -3.401523 -0.225167
H -4.447341 1.138672 0.292499
H -2.913694 3.098562 0.781774
H -2.542655 1.605317 1.712444
H -0.925278 2.294721 -0.701039
H -4.144800 2.912145 -1.484369
H -2.750724 2.003105 -2.163237
H -4.388554 1.305192 -2.223044
H 1.517485 3.417824 0.401684
H 3.494997 -0.983202 -0.952668
H 3.826082 3.328132 -0.589218
H 4.808178 1.104166 -1.239595
H -3.052305 -2.053495 -0.754850
H -4.568269 -1.270491 -0.147945
H -4.032054 -1.006795 -1.853456
H 1.836644 -2.405093 -1.347121
H 2.252610 -2.668711 0.383105
H 0.164784 -5.354434 0.026018


