%chk=000060162.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060162

0 1
 O   3.7000000E-02  -2.303700       2.048200    
 N    1.822800     -0.7146000     -0.7993000    
 N   -4.024100       1.655400     -0.6596000    
 C    1.600900      -1.169900      0.5744000    
 C    3.077600      2.1199999E-02 -0.9000000    
 C   0.2380000      -1.860300      0.7068000    
 C    3.089300       1.187600      8.6400002E-02
 C    1.955900       2.171100     -0.2071000    
 C  -0.8945000     -0.9254000      0.3431000    
 C    1.818000      -1.853900      -1.718600    
 C   -1.765600      -1.281900     -0.6717000    
 C   -1.035700      0.2659000       1.033700    
 C    1.939100       3.316800      0.7923000    
 C   -2.810300     -0.4203000      -1.006500    
 C   -2.080500       1.127500      0.6991000    
 C   -2.967900      0.7843000     -0.3211000    
 H    2.390500      -1.865500      0.8924000    
 H    1.616400     -0.3662000       1.313600    
 H    3.201500      0.4137000      -1.917100    
 H    3.938500     -0.6286000     -0.6961000    
 H   0.1925000      -2.772000      0.1023000    
 H    4.039800       1.721000     -5.5199999E-02
 H    3.109600      0.8802000       1.135900    
 H   0.9808000       1.682200     -0.1848000    
 H    2.079300       2.582700      -1.216200    
 H    2.118200      -1.529500      -2.722700    
 H   0.8220000      -2.283600      -1.851200    
 H    2.510300      -2.644700      -1.407200    
 H   -1.656100      -2.218100      -1.211000    
 H  -0.3671000      0.5446000       1.842400    
 H    1.131800       4.016300      0.5535000    
 H    1.776900       2.946000       1.809500    
 H    2.884000       3.868900      0.7730000    
 H   0.7745000      -2.895600       2.274800    
 H   -3.495400     -0.6992000      -1.803000    
 H   -2.194200       2.062000       1.242700    
 H   -4.668100       1.406800      -1.398600    
 H   -4.139100       2.528700     -0.1626000    


%chk=000060162-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060162

0 1
O -0.222166 -2.914459 1.726241
N 2.141230 -1.084613 -0.608614
N -3.450894 2.418555 0.278266
C 1.609195 -1.665311 0.639058
C 3.145249 -0.008639 -0.385988
C 0.120857 -2.118296 0.524841
C 2.508942 1.332807 0.041935
C 1.697279 2.004039 -1.087738
C -0.850733 -0.956695 0.460806
C 2.594040 -2.113498 -1.564610
C -1.339764 -0.481925 -0.778714
C -1.256254 -0.285250 1.641395
C 0.931380 3.256704 -0.611755
C -2.199779 0.632357 -0.850128
C -2.116969 0.827273 1.588624
C -2.600401 1.309741 0.336967
H 2.223826 -2.550604 0.962591
H 1.668318 -0.919881 1.451065
H 3.684592 0.145635 -1.341286
H 3.913791 -0.322248 0.365751
H 0.007533 -2.745327 -0.385731
H 3.317600 2.013679 0.381430
H 1.847040 1.173162 0.916882
H 0.983563 1.260602 -1.488049
H 2.384493 2.274749 -1.916793
H 2.850346 -1.641376 -2.529563
H 1.784028 -2.841139 -1.752596
H 3.488381 -2.687636 -1.209263
H -1.040085 -0.986565 -1.705286
H -0.913244 -0.665533 2.609579
H 0.393481 3.741812 -1.447689
H 0.182752 2.983331 0.154965
H 1.617011 4.006167 -0.170459
H 0.482752 -3.599372 1.861625
H -2.565427 0.981307 -1.824110
H -2.427217 1.324930 2.516449
H -3.798940 2.760955 -0.611857
H -3.749204 2.890463 1.126258


