%chk=000028517.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028517

0 1
 O    2.552800      -1.041800       1.147700    
 O    1.308600      0.3278000      -1.724900    
 O  -0.1448000      -1.287500       1.246700    
 N  -0.2209000      -2.389900     -0.7789000    
 C    2.711500     -0.8639000     -0.2558000    
 C    1.877600      -1.969900      0.2891000    
 C    2.043100      0.3766000     -0.7467000    
 C    2.370500       1.639100      2.6500000E-02
 C   0.4161000      -1.844000      0.3100000    
 C    1.264700       2.693300     -3.1500001E-02
 C  -1.7200001E-02   2.207800      0.5846000    
 C   -1.192300       2.181400     -6.1500002E-02
 C   -2.472400       1.699000      0.5554000    
 C   -3.090900      0.5952000     -0.2522000    
 C   -3.393300     -0.6128000      0.2457000    
 C   -4.013000      -1.710200     -0.5543000    
 H    3.665700      -1.112500     -0.7017000    
 H    2.278700      -2.975700      0.2414000    
 H    2.579500       1.397800       1.074000    
 H    3.290900       2.051700     -0.4024000    
 H    1.102900       2.999700      -1.072200    
 H    1.594800       3.585100      0.5141000    
 H   3.3000000E-02   1.868600       1.616400    
 H   0.2883000      -2.841000      -1.532300    
 H   -1.229200      -2.353800     -0.8697000    
 H   -1.241600       2.539000      -1.087600    
 H   -3.177100       2.538400      0.5890000    
 H   -2.311900       1.382100       1.593100    
 H   -3.316100      0.8108000      -1.294300    
 H   -3.185100     -0.8311000       1.289700    
 H   -4.104100      -1.451300      -1.613900    
 H   -5.012800      -1.931500     -0.1680000    
 H   -3.411500      -2.620200     -0.4765000    


%chk=000028517-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028517

0 1
O 3.277231 -1.326483 0.742752
O 2.070465 0.780482 -2.099496
O 0.552580 -0.990307 1.851950
N -0.340969 -1.701999 -0.182554
C 2.903637 -0.921792 -0.660666
C 2.054440 -1.905507 0.123766
C 2.394870 0.486285 -0.915684
C 2.347587 1.465760 0.246907
C 0.698453 -1.485986 0.699205
C 1.260334 2.562180 0.091472
C -0.103101 2.085341 0.554756
C -1.232653 2.069133 -0.198596
C -2.592871 1.617747 0.316031
C -3.150473 0.412407 -0.426086
C -3.613345 -0.723079 0.166057
C -4.214888 -1.905575 -0.564590
H 3.547370 -1.325585 -1.454127
H 2.142510 -2.967917 -0.146149
H 2.242181 0.910590 1.196155
H 3.358381 1.929281 0.283435
H 1.219117 2.893015 -0.962488
H 1.564818 3.436344 0.701256
H -0.152638 1.716128 1.591335
H -0.167751 -2.005588 -1.141321
H -1.276265 -1.343349 0.044759
H -1.188672 2.404736 -1.246683
H -3.311964 2.458332 0.199399
H -2.532483 1.397574 1.398174
H -3.187414 0.494057 -1.524790
H -3.581083 -0.793534 1.265073
H -4.191958 -1.760725 -1.659504
H -5.269751 -2.058857 -0.264651
H -3.681197 -2.846809 -0.326098


