%chk=000030722.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030722

0 1
 O    3.512600      -2.143900     -0.5870000    
 O   -2.212500      0.5013000     -0.2110000    
 O   -5.678800      0.1372000      4.3099999E-02
 O   -4.430500       1.791700     -0.6930000    
 N    2.315100     -0.1887000     -5.0799999E-02
 N    4.503100     -1.7000001E-02 -0.5084000    
 N    1.120700     -0.7343000      0.2152000    
 N   -4.539000      0.6314000     -0.1988000    
 C    4.092500       1.325600     -0.1417000    
 C    2.568000       1.226400     -5.9000002E-03
 C    4.757500       1.755000       1.158600    
 C    3.443500     -0.9368000     -0.4006000    
 C   0.1218000      3.3300001E-02 -8.0799997E-02
 C   -1.255600     -0.3785000      0.1341000    
 C   -1.761800      -1.530700      0.6374000    
 C   -3.389900     -0.1100000      8.2800001E-02
 C   -3.166700      -1.361900      0.6071000    
 H    4.377800       2.008500     -0.9488000    
 H    2.181900       1.670600      0.9170000    
 H    2.114200       1.708800     -0.8783000    
 H    5.449000     -0.2738000     -0.7732000    
 H    5.847500       1.761200       1.050800    
 H    4.437400       2.762200       1.444300    
 H    4.513200       1.071700       1.979700    
 H   0.2137000       1.034100     -0.5354000    
 H   -1.213800      -2.393900      0.9873000    
 H   -3.917800      -2.069500      0.9290000    


%chk=000030722-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000030722

0 1
O 3.360361 -2.320226 0.065325
O -2.366677 0.608899 0.100295
O -5.870504 -0.153920 0.181612
O -4.770686 1.871324 0.188446
N 2.295831 -0.159711 -0.038301
N 4.538237 -0.255093 0.018362
N 1.033784 -0.645137 -0.004240
N -4.792021 0.576246 0.165834
C 4.274220 1.187712 -0.158365
C 2.719739 1.261003 0.000431
C 5.030109 2.068478 0.851213
C 3.415667 -1.074829 0.017579
C 0.012061 0.201637 0.031221
C -1.322338 -0.341199 0.056690
C -1.864517 -1.638159 0.049982
C -3.554088 -0.134688 0.120144
C -3.285429 -1.503495 0.090297
H 4.551331 1.495069 -1.187237
H 2.431263 1.722252 0.966542
H 2.249710 1.837107 -0.817333
H 5.470908 -0.662217 0.000079
H 6.123025 1.978236 0.715722
H 4.761312 3.131275 0.710774
H 4.782670 1.774585 1.886324
H 0.094021 1.300089 0.044205
H -1.280329 -2.554481 0.019538
H -4.034560 -2.290758 0.097560


