%chk=000082314.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082314

0 1
 O   -3.359800     -0.2888000     -0.4894000    
 O   -2.764600      0.6540000       1.530100    
 N    4.112800      -2.040300      0.2364000    
 C  -2.3499999E-02  0.5645000      0.8744000    
 C    1.371600      0.4341000      0.3207000    
 C   -1.074800      7.0100002E-02 -0.1188000    
 C    2.084900     -0.7359000      0.5368000    
 C    1.921000       1.486400     -0.3972000    
 C    3.376400     -0.8563000      2.3600001E-02
 C   -2.476400      0.1940000      0.4339000    
 C    3.212300       1.366000     -0.9103000    
 C    3.940000      0.1947000     -0.7002000    
 C   -4.738600     -0.2375000     -0.1089000    
 C   -5.581400     -0.8049000      -1.231300    
 H  -0.2179000       1.611600       1.142200    
 H  -0.1004000      6.3999998E-03   1.817100    
 H   -1.021100      0.6542000      -1.045000    
 H  -0.8954000     -0.9845000     -0.3595000    
 H    1.642500      -1.554300       1.099500    
 H    1.361700       2.401800     -0.5680000    
 H    3.651000       2.184000      -1.474100    
 H    4.945300      0.1131000      -1.105400    
 H   -4.888300     -0.8284000      0.8016000    
 H   -5.026500      0.8026000      8.0799997E-02
 H    3.704700      -2.802900      0.7605000    
 H    5.048900      -2.128000     -0.1360000    
 H   -6.643700     -0.7808000     -0.9732000    
 H   -5.428500     -0.2352000      -2.153800    
 H   -5.292500      -1.839300      -1.444900    


%chk=000082314-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000082314

0 1
O -3.443637 -0.204216 -0.525028
O -2.760098 -0.223531 1.702472
N 4.395995 -1.802019 0.568395
C -0.037313 0.482331 0.860630
C 1.374325 0.398411 0.296122
C -1.077011 -0.129967 -0.114175
C 2.240136 -0.642702 0.699860
C 1.823135 1.340526 -0.666898
C 3.551444 -0.767347 0.156440
C -2.473567 -0.183022 0.482640
C 3.122822 1.224202 -1.209090
C 3.986433 0.184021 -0.810614
C -4.864442 -0.316237 -0.067615
C -5.730814 -0.314970 -1.323043
H -0.311068 1.536595 1.054938
H -0.109881 -0.047626 1.827025
H -1.109652 0.419125 -1.071047
H -0.778660 -1.167744 -0.365330
H 1.898430 -1.367208 1.451645
H 1.165072 2.159816 -0.979627
H 3.471619 1.954593 -1.948710
H 4.994106 0.106662 -1.237651
H -4.968344 -1.246927 0.519422
H -5.082166 0.536170 0.600982
H 4.093100 -2.476603 1.264245
H 5.335400 -1.886833 0.192547
H -6.797026 -0.397366 -1.043255
H -5.592426 0.617956 -1.895695
H -5.476212 -1.165689 -1.977987


