%chk=000034624.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034624

0 1
 O   0.5773000     -0.9738000      6.3000001E-02
 O    2.533700      -2.257800      -1.063100    
 N    4.256100      -1.136200      1.7100001E-02
 C  -0.4320000     -0.2300000      0.7501000    
 C  -0.7916000      0.9023000      -1.954200    
 C   -2.232300      0.4231000      -1.806700    
 C  -0.2439000       1.246400      0.4858000    
 C   -1.816500     -0.7909000      0.4709000    
 C  -0.3836000       1.783400     -0.8053000    
 C   -2.590800     -0.5210000     -0.6767000    
 C   0.1013000       2.102800       1.545200    
 C   -2.327900      -1.692500       1.433200    
 C  -0.1739000       3.155500      -1.014200    
 C   -3.858200      -1.137100     -0.7956000    
 C   0.3065000       3.465000       1.326800    
 C   -3.576300      -2.294500       1.288300    
 C   0.1708000       3.991000      4.6700001E-02
 C   -4.345600      -2.013800      0.1713000    
 C    1.874900     -0.6010000      0.4970000    
 C    2.914400      -1.408400     -0.2515000    
 C    5.293000      -1.881900     -0.6857000    
 C    4.744500     -0.1307000      0.9574000    
 H  -0.2523000     -0.3846000       1.824200    
 H  -0.7106000       1.466600      -2.892400    
 H  -9.8499998E-02  6.1700001E-02  -2.064300    
 H   -2.490500     -7.9200000E-02  -2.749400    
 H   -2.892100       1.298000      -1.724300    
 H   0.2187000       1.712600       2.553400    
 H   -1.743900      -1.937300       2.318800    
 H  -0.2847000       3.584400      -2.007000    
 H   -4.482100     -0.9286000      -1.663300    
 H   0.5743000       4.113400       2.155900    
 H   -3.942200      -2.979600       2.047000    
 H   0.3297000       5.051300     -0.1260000    
 H   -5.321500      -2.473300      4.8400000E-02
 H    1.982500     -0.8029000       1.568400    
 H    2.083800      0.4491000      0.2739000    
 H    5.911900      -2.403600      5.0200000E-02
 H    5.910900      -1.177800      -1.250600    
 H    4.871700      -2.616000      -1.376900    
 H    5.407400     -0.6182000       1.678500    
 H    3.941500      0.3640000       1.503900    
 H    5.307000      0.6229000      0.3982000    


%chk=000034624-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000034624

0 1
O 0.576564 -0.937643 0.320687
O 2.460447 -1.031090 -1.635572
N 4.233554 -1.073347 -0.123999
C -0.468712 -0.067792 0.951002
C -0.558000 0.714741 -1.909047
C -1.994380 0.137181 -1.870835
C -0.319453 1.392207 0.536451
C -1.805236 -0.725519 0.624697
C -0.334909 1.766752 -0.839178
C -2.464491 -0.644314 -0.638109
C -0.140870 2.380569 1.533643
C -2.401695 -1.481667 1.669783
C -0.166910 3.132589 -1.170146
C -3.703372 -1.327950 -0.786748
C 0.015528 3.743304 1.191005
C -3.630212 -2.149948 1.504659
C 0.005948 4.118737 -0.170488
C -4.288899 -2.070004 0.256960
C 1.936070 -0.621557 0.734249
C 2.884318 -0.934465 -0.445317
C 5.187315 -1.429637 -1.188809
C 4.778245 -0.951001 1.238306
H -0.333953 -0.119740 2.054045
H -0.402682 1.167711 -2.906398
H 0.178918 -0.101029 -1.795582
H -2.111209 -0.530321 -2.747581
H -2.711606 0.971155 -2.025934
H -0.133241 2.080515 2.589966
H -1.879949 -1.546492 2.632861
H -0.172643 3.425200 -2.227332
H -4.215589 -1.270336 -1.756028
H 0.146783 4.498217 1.974187
H -4.064045 -2.724245 2.330407
H 0.132803 5.170054 -0.453282
H -5.244986 -2.581842 0.099200
H 2.200037 -1.222553 1.629414
H 2.041930 0.455553 0.990872
H 5.686607 -2.391270 -0.961148
H 5.960352 -0.645672 -1.302672
H 4.626443 -1.525335 -2.130942
H 4.802411 -1.924316 1.769531
H 4.200613 -0.232976 1.842284
H 5.813058 -0.569624 1.177337


