%chk=000049557.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049557

0 1
 N   -3.515500      0.4216000     -0.2662000    
 C   -4.522700       1.011800      -1.168600    
 C   -5.814800      0.1737000      -1.121000    
 C   -3.976300      0.2993000       1.121400    
 C   -6.346500     -3.9999999E-04  0.2986000    
 C   -5.252100     -0.5381000       1.211900    
 C   -2.221600       1.094900     -0.3321000    
 C   -4.823300       2.499900     -0.9307000    
 C   -1.164700      0.2857000      0.4188000    
 C   0.1722000      0.9514000      0.3439000    
 C    1.341900      0.2826000      0.3515000    
 C    2.618500       1.041200      0.2728000    
 C    1.258700      -1.192900      0.3331000    
 C    3.690800     -0.4951000      -1.549200    
 C    2.365800      -1.154300      -1.934900    
 C    3.677100      0.6829000     -0.5911000    
 C    1.751200      -1.898500     -0.7772000    
 C    2.795900       2.139400       1.143300    
 C   0.7011000      -1.896000       1.412000    
 C    4.865600       1.446300     -0.5562000    
 C    1.671400      -3.298300     -0.7940000    
 C    3.975900       2.882800       1.151300    
 C   0.6277000      -3.288300       1.383100    
 C    5.012200       2.536900      0.2984000    
 C    1.111300      -3.988500      0.2809000    
 H   -4.141300      0.9259000      -2.195100    
 H   -5.611800     -0.8186000      -1.545800    
 H   -6.588700      0.6274000      -1.751400    
 H   -4.140500       1.283500       1.576800    
 H   -3.260900     -0.2303000       1.754500    
 H   -7.200000     -0.6875000      0.2952000    
 H   -6.712300      0.9585000      0.6835000    
 H   -5.611900     -0.5560000       2.247100    
 H   -5.028000      -1.576600      0.9354000    
 H   -2.278300       2.108200      8.5900001E-02
 H   -1.909000       1.191400      -1.380100    
 H   -5.602400       2.845000      -1.619600    
 H   -5.172000       2.700800      8.6499996E-02
 H   -3.940100       3.119900      -1.114500    
 H   -1.393800      0.2304000       1.486500    
 H   -1.173900     -0.7245000     -1.4000000E-03
 H   0.1657000       2.039500      0.3246000    
 H    4.148600     -0.1496000      -2.486400    
 H    4.363400      -1.255200      -1.128500    
 H    2.553700      -1.855300      -2.758400    
 H    1.653900     -0.4177000      -2.328100    
 H    2.013700       2.425600       1.844600    
 H   0.3353000      -1.372300       2.292200    
 H    5.698500       1.183500      -1.206300    
 H    2.048200      -3.861700      -1.643900    
 H    4.084200       3.723700       1.829700    
 H   0.1975000      -3.826600       2.222600    
 H    5.936900       3.105900      0.3019000    
 H    1.055500      -5.072900      0.2594000    


%chk=000049557-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049557

0 1
N -3.614644 0.496799 0.084553
C -4.440195 0.628325 -1.154959
C -5.754632 -0.175918 -0.974907
C -4.309276 0.940225 1.316810
C -6.530050 0.246246 0.294589
C -5.612846 0.143024 1.533311
C -2.235022 1.013627 -0.045616
C -4.708275 2.096912 -1.602767
C -1.223371 0.244442 0.849148
C 0.166807 0.828557 0.739522
C 1.333381 0.169683 0.446583
C 2.628002 0.935948 0.383486
C 1.372368 -1.317431 0.249560
C 3.577511 -0.235843 -1.786231
C 2.218768 -0.908226 -2.101838
C 3.639435 0.748088 -0.612253
C 1.788491 -1.858055 -1.000244
C 2.859854 1.904659 1.406581
C 0.998380 -2.196714 1.296913
C 4.816673 1.541737 -0.542723
C 1.818509 -3.262114 -1.173966
C 4.032001 2.682264 1.456254
C 1.036962 -3.597441 1.117055
C 5.025949 2.499358 0.468211
C 1.447231 -4.133813 -0.124478
H -3.858140 0.139052 -1.962487
H -5.491901 -1.248531 -0.893311
H -6.385651 -0.052827 -1.876442
H -4.543719 2.036792 1.296434
H -3.632384 0.779483 2.176082
H -7.423328 -0.394586 0.421927
H -6.899806 1.286270 0.190046
H -6.130513 0.519232 2.437130
H -5.352019 -0.918483 1.710209
H -2.165793 2.107814 0.186310
H -1.921700 0.894314 -1.100677
H -5.250230 2.107241 -2.566810
H -5.316803 2.654058 -0.868445
H -3.760324 2.647697 -1.745050
H -1.565664 0.304321 1.904348
H -1.242591 -0.822829 0.571470
H 0.221902 1.922533 0.859820
H 3.920092 0.301713 -2.693004
H 4.324514 -1.037362 -1.608017
H 2.316712 -1.458183 -3.056411
H 1.451300 -0.123941 -2.253160
H 2.106961 2.016958 2.194426
H 0.690139 -1.773917 2.259935
H 5.584685 1.400934 -1.314698
H 2.131745 -3.674489 -2.141272
H 4.174792 3.409725 2.263089
H 0.749807 -4.263145 1.938638
H 5.949077 3.089232 0.488273
H 1.476826 -5.219012 -0.274248


