%chk=000043247.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043247

0 1
 O    4.282000     -0.1594000     -0.5733000    
 O    2.805800      -2.425000      2.2299999E-02
 O    3.127200       2.342500     -0.2950000    
 O   -4.060800     -0.9188000     -0.9721000    
 O   -1.404000       1.348100       1.765000    
 N   -1.876600     -0.7607000      0.9244000    
 C   0.3543000      0.1924000      0.7300000    
 C    2.992400     -4.3699998E-02 -0.1461000    
 C    2.251800      -1.187200      0.1535000    
 C    2.413800       1.218000     -7.4999998E-03
 C   0.9327000      -1.069200      0.5914000    
 C    1.094700       1.336000      0.4305000    
 C   -3.273700     -0.7792000       1.293900    
 C   -1.021100      0.3155000       1.187100    
 C   -4.152600     -0.2530000      0.1906000    
 C   -5.028300      0.7747000      0.1445000    
 C   -5.541600      0.7600000      -1.174300    
 C   -4.922000     -0.2886000      -1.813500    
 C    5.297400     -0.1603000      0.4276000    
 C    2.664900      -3.067100      -1.243400    
 C    3.063800       2.825000      -1.635500    
 H   0.3968000      -1.979500      0.8456000    
 H   0.6547000       2.325500      0.5311000    
 H   -3.416300     -0.1881000       2.204800    
 H   -3.542700      -1.817700       1.513200    
 H   -1.546400      -1.551700      0.3818000    
 H   -5.280900       1.459200      0.9412000    
 H   -6.271700       1.429800      -1.605200    
 H   -4.980900     -0.6951000      -2.812600    
 H    5.165800      -1.006200       1.109500    
 H    5.286400      0.7795000      0.9887000    
 H    6.266800     -0.2593000     -6.8499997E-02
 H    3.136600      -2.472500      -2.032100    
 H    1.607400      -3.228400      -1.475700    
 H    3.163900      -4.038700      -1.192200    
 H    2.035700       3.094300      -1.897700    
 H    3.445600       2.073900      -2.334200    
 H    3.688900       3.719300      -1.707600    


%chk=000043247-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043247

0 1
O 4.270443 -0.339368 -0.646787
O 2.449022 -2.581213 -0.435402
O 3.282543 2.281320 0.057014
O -4.803660 -1.379910 -0.365129
O -1.432501 1.546116 1.785308
N -2.068853 -0.549591 1.008421
C 0.257839 0.199661 0.672500
C 2.929222 -0.144276 -0.245810
C 2.046342 -1.259656 -0.176431
C 2.437168 1.149210 0.098510
C 0.722571 -1.080835 0.284258
C 1.123640 1.314688 0.570905
C -3.462940 -0.396077 1.471405
C -1.131957 0.457354 1.198066
C -4.447375 -0.210752 0.356138
C -5.109870 0.876873 -0.187427
C -5.916719 0.388397 -1.289021
C -5.705119 -0.976432 -1.368388
C 5.263476 -0.089481 0.431332
C 3.122941 -2.846717 -1.726588
C 3.775619 2.645808 -1.291848
H 0.112300 -1.985805 0.371543
H 0.766624 2.304748 0.867086
H -3.474447 0.497028 2.117828
H -3.743101 -1.276449 2.079873
H -1.843285 -1.362414 0.434656
H -5.023780 1.905821 0.156117
H -6.567421 0.976834 -1.932858
H -6.079843 -1.767694 -2.011483
H 5.111143 -0.810090 1.255273
H 5.172937 0.945245 0.805760
H 6.247295 -0.248824 -0.035500
H 4.045580 -2.251422 -1.818065
H 2.437152 -2.619844 -2.565672
H 3.350157 -3.923409 -1.710758
H 2.925653 2.926786 -1.941938
H 4.340463 1.812270 -1.746594
H 4.430537 3.516398 -1.136094


