%chk=000041501.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041501

0 1
 O  -0.6887000      -2.285800      0.3526000    
 O   -2.480800     -0.4260000       1.898500    
 N    1.515100       1.735100      0.1619000    
 N   -2.886900     -0.3221000     -0.4124000    
 C    1.710700     -0.4804000     -1.2000000E-02
 C    2.417400      0.7226000     -7.4500002E-02
 C   0.3547000     -0.1540000      0.2698000    
 C   0.2658000       1.215200      0.3711000    
 C   -4.250300      0.1535000     -0.3872000    
 C  -0.7571000      -1.047700      0.4294000    
 C    2.407100      -1.687400     -0.2204000    
 C    3.790800      0.7790000     -0.3361000    
 C    1.825100       3.148300      0.1892000    
 C   -2.156400     -0.5581000      0.7295000    
 C    3.781200      -1.646300     -0.4829000    
 C    4.460400     -0.4310000     -0.5395000    
 C   -5.023100     -0.3915000      -1.581400    
 C   -4.284900       1.676400     -0.3556000    
 H  -0.5775000       1.862800      0.5734000    
 H   -4.720900     -0.2189000      0.5310000    
 H    1.898500      -2.646100     -0.1812000    
 H    4.325600       1.721800     -0.3815000    
 H    2.223800       3.432700     -0.7879000    
 H   0.9175000       3.720000      0.3990000    
 H    2.563200       3.324200      0.9759000    
 H   -2.437800     -0.4412000      -1.316200    
 H    4.323600      -2.574200     -0.6445000    
 H    5.527800     -0.4223000     -0.7450000    
 H   -4.586200     -5.2400000E-02  -2.527300    
 H   -5.008500      -1.486900      -1.585800    
 H   -6.068400     -6.6799998E-02  -1.552800    
 H   -5.315500       2.044200     -0.3156000    
 H   -3.803800       2.102500      -1.243200    
 H   -3.754500       2.062000      0.5219000    


%chk=000041501-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041501

0 1
O -0.824955 -1.330992 -1.176460
O -2.176536 1.629661 0.388610
N 2.028217 1.803629 0.794108
N -3.171593 -0.226227 -0.630999
C 1.831108 -0.177145 -0.359258
C 2.768002 0.737261 0.226250
C 0.496757 0.374218 -0.125688
C 0.680681 1.584567 0.582937
C -4.570120 0.216120 -0.467887
C -0.756736 -0.219615 -0.538949
C 2.314015 -1.343277 -1.001753
C 4.161493 0.529275 0.193175
C 2.617441 2.948999 1.493377
C -2.094362 0.504560 -0.206708
C 3.708158 -1.560792 -1.041031
C 4.620548 -0.639367 -0.452596
C -5.475818 -1.006692 -0.217528
C -5.030454 1.044071 -1.692844
H -0.091978 2.269395 0.926320
H -4.577715 0.877382 0.419098
H 1.608231 -2.046534 -1.450838
H 4.865666 1.236132 0.644703
H 3.293588 3.509304 0.822756
H 1.814741 3.623248 1.829114
H 3.190896 2.613212 2.376115
H -2.943415 -1.105022 -1.115234
H 4.100309 -2.457192 -1.533982
H 5.696485 -0.840136 -0.501636
H -5.469057 -1.691979 -1.087222
H -5.145873 -1.570761 0.672635
H -6.518712 -0.681420 -0.056095
H -6.060593 1.415238 -1.540849
H -5.015273 0.429210 -2.611832
H -4.366144 1.912871 -1.839609


