%chk=000097228.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097228

0 1
 O    4.583900       2.124200       1.344100    
 O    7.824900      0.2389000      -2.024900    
 O    5.717300      0.2044000      -2.865600    
 O    5.821000      -4.432600      0.5702000    
 O    7.013000      -3.103400       1.970300    
 N   -1.651700       1.957600      2.2700001E-02
 N    4.615000      0.6660000     -0.4591000    
 N   -4.637800      0.7891000      0.2961000    
 N   -3.853400      -1.840400      0.6540000    
 N   -5.892100      -2.575200     -0.1616000    
 N   -7.572300      -1.016200     -0.8667000    
 N   -7.144900       1.303200     -0.7286000    
 N   -7.957700      -3.322600     -0.9879000    
 C   -2.503600       1.631000       1.149000    
 C  -0.2500000       1.844700      0.1310000    
 C   -3.427700      0.4867000      0.7914000    
 C    6.036600      0.4296000     -0.4617000    
 C   -3.252400       2.883300       1.599800    
 C    6.444000     -0.7401000      0.4425000    
 C   -2.259400       2.388300      -1.220700    
 C   0.3734000       2.052100       1.361500    
 C   0.5128000       1.526900     -0.9927000    
 C    2.522600       1.623800      0.3445000    
 C    1.759700       1.941700       1.468100    
 C    1.899100       1.416500     -0.8860000    
 C    5.879900      -2.112800      5.4299999E-02
 C    3.999200       1.506500      0.4579000    
 C   -3.040500     -0.8133000      0.9681000    
 C   -5.449200     -0.2391000     -1.7400000E-02
 C    6.471800      0.2680000      -1.903700    
 C   -5.066800      -1.570800      0.1578000    
 C    6.300900      -3.230400      0.9840000    
 C   -6.714500     -3.4899998E-02 -0.5338000    
 C   -7.101100      -2.250500     -0.6569000    
 H   -1.940700       1.280300       2.021900    
 H    6.519700       1.342500     -9.0599999E-02
 H   -2.549400       3.683600       1.857200    
 H   -3.850600       2.669000       2.493400    
 H   -3.940100       3.283100      0.8481000    
 H    7.539500     -0.8101000      0.4641000    
 H    6.136800     -0.5159000       1.472600    
 H   -1.726000       3.249900      -1.639000    
 H   -2.246800       1.577500      -1.957700    
 H   -3.302800       2.697200      -1.112100    
 H  -0.1745000       2.341900       2.252900    
 H   5.9300002E-02   1.354400      -1.964500    
 H    4.057700      0.1245000      -1.111500    
 H    2.227800       2.111500       2.434300    
 H    2.457800       1.196100      -1.790700    
 H    6.218800      -2.376000     -0.9537000    
 H    4.784900      -2.076300      5.9099998E-02
 H   -2.070200      -1.088400       1.363300    
 H    8.106100      0.1505000      -2.960500    
 H   -8.077700       1.437900      -1.098400    
 H   -6.750900       2.024400     -0.1370000    
 H    6.106400      -5.162500       1.160100    
 H   -8.875900      -3.127800      -1.362400    
 H   -7.643200      -4.272400     -0.8451000    


%chk=000097228-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097228

0 1
O 4.470693 1.238794 1.946843
O 8.450277 1.202846 -1.197250
O 6.521064 1.070347 -2.481000
O 6.781798 -4.158424 -0.220612
O 7.547554 -3.112071 1.705415
N -1.638750 1.196776 -0.308274
N 4.934869 0.802676 -0.277252
N -5.054377 0.946781 0.325872
N -4.574869 -1.882243 0.532935
N -6.874333 -2.297661 0.083403
N -8.426373 -0.401829 -0.287962
N -7.651469 1.820995 -0.205595
N -9.141490 -2.619888 -0.360089
C -2.638590 1.421630 0.773142
C -0.262701 1.166099 -0.050938
C -3.817614 0.463226 0.588936
C 6.378435 0.806523 -0.025076
C -3.059205 2.901581 0.890259
C 6.889916 -0.493154 0.671391
C -2.123564 1.164845 -1.698681
C 0.290826 1.455472 1.240460
C 0.659726 0.841426 -1.098782
C 2.584611 1.075195 0.421148
C 1.673654 1.402752 1.459960
C 2.043195 0.796850 -0.862092
C 6.598103 -1.761781 -0.147420
C 4.040399 1.048586 0.758885
C -3.607440 -0.957940 0.688974
C -6.058968 0.026339 0.163871
C 7.078029 1.039686 -1.357967
C -5.853815 -1.398797 0.256258
C 7.032236 -3.023575 0.570456
C -7.416517 0.479103 -0.117273
C -8.097312 -1.749301 -0.179327
H -2.150345 1.119537 1.718131
H 6.623412 1.644264 0.657892
H -2.166445 3.530645 1.051211
H -3.755514 3.045477 1.734771
H -3.571982 3.241022 -0.025704
H 7.973323 -0.390979 0.855914
H 6.391783 -0.548819 1.653644
H -1.604809 1.920794 -2.318931
H -1.980541 0.171566 -2.168764
H -3.201094 1.390435 -1.715162
H -0.352947 1.745873 2.075670
H 0.290980 0.601718 -2.099415
H 4.641275 0.780418 -1.256881
H 2.090499 1.624754 2.448127
H 2.688688 0.520523 -1.705017
H 7.101405 -1.749355 -1.134294
H 5.515286 -1.847389 -0.361638
H -2.600507 -1.338199 0.901839
H 8.877751 1.347415 -2.084618
H -8.591636 2.159522 -0.396399
H -6.866779 2.456938 -0.063154
H 7.068733 -4.971274 0.278062
H -10.069108 -2.253029 -0.554756
H -8.963429 -3.618622 -0.289345


