%chk=000033926.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033926

0 1
 O    2.057800      -1.849100     -0.8638000    
 O   -1.502800      0.4871000      -2.343600    
 O    3.728300      0.6113000      0.4749000    
 O   -2.062700       2.704100      0.1604000    
 O   0.9159000       2.091400       1.295900    
 N    1.465200      3.3700000E-02  0.3696000    
 N  -0.2953000       1.344300     -0.5454000    
 C  -0.2395000      -1.078500     -0.9984000    
 C  -0.3201000      -1.985000      -2.248800    
 C    1.216100      -1.018300     -0.5210000    
 C  -0.7317000      0.3158000      -1.397400    
 C   -1.124700      -1.717000      9.5100001E-02
 C   0.7006000       1.217900      0.4495000    
 C   0.5486000      -1.449100      -3.365800    
 C  -0.5608000      -2.607000      0.9995000    
 C   -2.473400      -1.393000      0.1596000    
 C    2.675300     -2.7799999E-02   1.180900    
 C  -0.9338000       2.647700     -0.6983000    
 C   -1.360300      -3.183600       1.986400    
 C   -3.272800      -1.969500       1.146600    
 C   -2.716400      -2.864700       2.059900    
 C    4.949700      0.5568000       1.199500    
 C   -2.751900       3.940600      3.4899998E-02
 C    6.029600       1.252100      0.3981000    
 C   -3.940900       3.939700      0.9718000    
 H   1.2000001E-03  -3.008000      -2.011600    
 H   -1.354000      -2.068600      -2.609000    
 H   0.2655000     -0.4492000      -3.703100    
 H    1.614800      -1.430800      -3.131300    
 H   0.4431000      -2.105400      -4.238200    
 H    2.509300      0.4756000       2.139800    
 H    2.934900      -1.076400       1.367500    
 H  -0.2248000       3.438700     -0.4283000    
 H   -1.247500       2.794700      -1.737700    
 H   0.4835000      -2.898500      0.9650000    
 H   -2.943100     -0.7129000     -0.5429000    
 H  -0.9287000      -3.884700       2.694900    
 H   -4.329400      -1.724200       1.202000    
 H   -3.339200      -3.315000       2.827200    
 H    4.828700       1.056200       2.167300    
 H    5.232700     -0.4878000       1.370800    
 H   -3.096500       4.069800     -0.9972000    
 H   -2.079900       4.767000      0.2919000    
 H    6.986000       1.228800      0.9279000    
 H    6.154600      0.7722000     -0.5781000    
 H    5.756600       2.295200      0.2071000    
 H   -4.496000       4.879200      0.9005000    
 H   -4.616800       3.111000      0.7361000    
 H   -3.615100       3.799500       2.007800    


%chk=000033926-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033926

0 1
O 1.926833 -2.084276 -0.220479
O -1.425326 0.587243 -2.262044
O 3.850428 0.578473 0.375962
O -2.107519 2.597546 0.183279
O 1.180250 2.294532 1.204964
N 1.551622 0.091944 0.509877
N -0.177971 1.431779 -0.493373
C -0.184911 -1.047781 -0.919444
C -0.156739 -1.960252 -2.186167
C 1.190330 -1.066235 -0.223705
C -0.632176 0.364788 -1.314779
C -1.203749 -1.619807 0.126520
C 0.858215 1.330431 0.469944
C 0.844809 -1.513330 -3.271150
C -0.964351 -2.909167 0.670194
C -2.361183 -0.905077 0.525001
C 2.806970 0.071513 1.266692
C -0.877178 2.715060 -0.604881
C -1.875214 -3.479864 1.583971
C -3.269653 -1.482795 1.441333
C -3.035120 -2.769886 1.972157
C 5.157212 0.662486 1.055327
C -2.977049 3.779506 0.020605
C 6.158981 1.206126 0.038324
C -4.209826 3.557797 0.894764
H 0.087504 -2.983586 -1.854661
H -1.181215 -1.971942 -2.597631
H 0.601634 -0.507583 -3.656492
H 1.881253 -1.511799 -2.889630
H 0.806324 -2.212409 -4.125785
H 2.693386 0.727596 2.150177
H 3.011453 -0.975923 1.557055
H -0.222719 3.505993 -0.197207
H -1.117681 2.887851 -1.671180
H -0.059420 -3.459700 0.390084
H -2.568976 0.099191 0.141351
H -1.676695 -4.476457 1.993794
H -4.160247 -0.918887 1.740506
H -3.742707 -3.212933 2.681765
H 5.075648 1.335351 1.937411
H 5.458182 -0.346810 1.413208
H -3.256538 3.888905 -1.050148
H -2.425907 4.693123 0.333478
H 7.162662 1.289522 0.493276
H 6.222966 0.534891 -0.835049
H 5.847327 2.204631 -0.312770
H -4.900402 4.416366 0.810248
H -4.746560 2.645641 0.581281
H -3.917053 3.444512 1.952523


