%chk=000055420.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055420

0 1
 O    2.930700      -1.512100     -0.4544000    
 O    3.119400       3.588100     -0.5681000    
 N  -0.5058000      -1.488500     -0.9281000    
 N   -3.067400     -0.4774000     -0.1697000    
 N    2.758300       1.270000     -0.7966000    
 C   -1.450400      -2.335700     -0.1900000    
 C   -1.239700     -0.5819000      -1.819800    
 C   -2.402700      -1.488700      0.6580000    
 C   -2.183700      0.3239000      -1.025700    
 C   0.4322000      -2.310700      -1.691700    
 C    1.249600      -3.191900     -0.7527000    
 C   -4.261000      0.1050000      0.2712000    
 C    2.035400      -2.359800      0.2517000    
 C   -4.529100      0.2591000       1.646100    
 C   -5.231200      0.5547000     -0.6467000    
 C   -5.719200      0.8391000       2.085300    
 C   -6.421300       1.134800     -0.2073000    
 C   -6.665200       1.276900       1.158700    
 C    3.711700     -0.6735000      0.2979000    
 C    3.633000      0.7057000      0.1350000    
 C    4.585800      -1.226700       1.228200    
 C    4.436800       1.540900      0.9108000    
 C    5.389600     -0.3915000       2.004100    
 C    5.315200      0.9922000       1.845400    
 C    2.558400       2.626000      -1.082400    
 C    1.520900       2.822200      -2.159300    
 H   -2.031100      -2.963500     -0.8792000    
 H  -0.9490000      -3.000700      0.5182000    
 H  -0.5357000      5.5399999E-02  -2.368600    
 H   -1.814900      -1.150000      -2.563400    
 H   -3.140600      -2.159800       1.115100    
 H   -1.842300     -0.9996000       1.465300    
 H   -1.605000       1.015500     -0.3997000    
 H   -2.752400      0.9322000      -1.738500    
 H  -9.3900003E-02  -2.945400      -2.416700    
 H    1.109200      -1.668400      -2.268600    
 H    1.966200      -3.744000      -1.375800    
 H   0.6527000      -3.957100     -0.2487000    
 H    1.377300      -1.764700      0.8954000    
 H    2.595000      -3.051700      0.8914000    
 H   -3.810400     -5.8400001E-02   2.397400    
 H   -5.068800      0.4426000      -1.716400    
 H   -5.908400      0.9526000       3.148800    
 H   -7.159400       1.473200     -0.9286000    
 H   -7.591800       1.728600       1.500800    
 H    4.672800      -2.301900       1.353400    
 H    4.439400       2.619700      0.8494000    
 H    6.076700     -0.8186000       2.728700    
 H    2.200500      0.6011000      -1.323900    
 H    5.942600       1.641300       2.449500    
 H   0.5380000       2.535000      -1.775700    
 H    1.494500       3.872900      -2.461100    
 H    1.764500       2.211200      -3.033200    


%chk=000055420-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055420

0 1
O 2.736400 -0.802003 -0.521622
O 5.789858 2.682851 -2.234082
N -1.025259 -1.190075 -0.759475
N -3.676174 -0.614225 0.271625
N 4.284566 0.958991 -1.709257
C -2.051510 -2.253359 -0.645948
C -1.690199 0.102873 -1.055147
C -3.059656 -1.938629 0.474037
C -2.674538 0.459977 0.070551
C 0.056747 -1.526855 -1.718632
C 1.101651 -2.485269 -1.103769
C -4.903981 -0.315722 0.920312
C 1.862438 -1.845098 0.057819
C -5.525154 -1.241749 1.813425
C -5.585388 0.915099 0.667327
C -6.772409 -0.952133 2.407431
C -6.824393 1.196553 1.274361
C -7.436210 0.267036 2.149113
C 3.499468 -0.008247 0.360458
C 4.337117 0.951824 -0.290214
C 3.479717 -0.113034 1.764611
C 5.146732 1.807861 0.493077
C 4.295467 0.748575 2.537778
C 5.120007 1.701180 1.903342
C 4.978828 1.777693 -2.596078
C 4.691709 1.502257 -4.071860
H -2.609446 -2.373718 -1.609699
H -1.561893 -3.217105 -0.416067
H -0.919333 0.892298 -1.121802
H -2.243543 0.068598 -2.027693
H -3.847545 -2.711198 0.449029
H -2.541863 -2.001295 1.460229
H -2.095545 0.624788 1.008218
H -3.180288 1.404137 -0.182606
H -0.349355 -1.972230 -2.660630
H 0.569356 -0.587691 -1.997822
H 1.820222 -2.801474 -1.883999
H 0.608053 -3.403600 -0.731470
H 1.145472 -1.379130 0.761784
H 2.493368 -2.583221 0.591953
H -5.031036 -2.182942 2.070360
H -5.163275 1.646810 -0.028824
H -7.219204 -1.684998 3.089773
H -7.321900 2.147836 1.051588
H -8.401086 0.490049 2.615959
H 2.841308 -0.849620 2.260288
H 5.780437 2.537037 -0.014676
H 4.279734 0.668564 3.629910
H 3.651835 0.253432 -2.097575
H 5.749984 2.367461 2.501891
H 4.338422 2.433251 -4.547628
H 5.633146 1.217424 -4.573159
H 3.944148 0.707866 -4.241313


