%chk=000055750.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055750

0 1
 O    1.210700       2.861800     -0.5980000    
 O   -1.065700     -0.4215000     -0.4805000    
 O  -0.4994000       3.314300      0.8823000    
 O   -4.396100      -2.247700      0.9933000    
 N    3.281000       1.245800      0.4635000    
 C    2.653200       2.306300       1.237500    
 C    4.413100       1.766600     -0.3066000    
 C    3.723500      0.1578000       1.339100    
 C    2.155500       3.414900      0.3238000    
 C   -2.208600       1.630000     -0.7280000    
 C   -2.231900      0.2885000     -0.3457000    
 C  -0.9639000       2.260500      -1.260900    
 C   -3.407100     -0.2744000      0.1490000    
 C    5.033800      0.6827000      -1.171600    
 C    2.565800     -0.4000000       2.149600    
 C   -3.363700       2.403900     -0.6140000    
 C  -9.2100002E-02   2.876500     -0.1853000    
 C   -1.060800      -1.759100     -0.1157000    
 C   -4.565700      0.4970000      0.2650000    
 C   -3.402800      -1.690600      0.5467000    
 C   -4.539700       1.838400     -0.1187000    
 C   -2.124800      -2.411300      0.3793000    
 C   0.2445000      -2.425500     -0.2964000    
 C   0.6229000      -3.469800      0.5513000    
 C    1.107300      -2.014900      -1.315900    
 C    1.856000      -4.099200      0.3808000    
 C    2.340400      -2.644500      -1.486200    
 C    2.714600      -3.686600     -0.6379000    
 H    3.344200       2.727200       1.978900    
 H    1.777100       1.931400       1.775800    
 H    4.093800       2.530800      -1.019500    
 H    5.179200       2.213400      0.3394000    
 H    4.099500     -0.6822000      0.7464000    
 H    4.527700      0.4747000       2.014800    
 H    2.938700       3.929300     -0.2383000    
 H    1.693300       4.206600      0.9278000    
 H  -0.3803000       1.522500      -1.824500    
 H   -1.214100       3.054300      -1.975800    
 H    5.627900     -2.9300001E-02 -0.5906000    
 H    4.275700      0.1342000      -1.740800    
 H    5.717900       1.138600      -1.896500    
 H    2.308600      0.2423000       2.998000    
 H    1.671400     -0.5501000       1.538300    
 H    2.844500      -1.373400       2.568800    
 H   -3.362200       3.451000     -0.9055000    
 H   -5.489900      7.4400000E-02  0.6488000    
 H   -5.436800       2.444500     -3.0700000E-02
 H   -2.121600      -3.460000      0.6525000    
 H  -7.1000000E-03  -3.805400       1.370700    
 H   0.8390000      -1.209500      -1.995200    
 H    2.150500      -4.906600       1.044700    
 H    3.009400      -2.323400      -2.279200    
 H    3.675600      -4.175200     -0.7695000    


%chk=000055750-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055750

0 1
O 1.124258 2.217972 -1.453298
O -0.944153 -0.572132 -0.630767
O -0.191723 3.946492 -0.599316
O -3.263746 -2.232468 2.418712
N 3.111769 1.393619 0.827638
C 2.636999 2.756367 0.488736
C 4.567462 1.240078 0.549538
C 2.742387 0.989692 2.214094
C 2.347985 2.955665 -1.006098
C -2.148400 1.499700 -0.575513
C -1.971344 0.194166 -0.048464
C -1.265972 2.011962 -1.705661
C -2.782642 -0.328083 0.990879
C 5.027136 -0.226130 0.446194
C 1.244844 0.669311 2.374376
C -3.163279 2.294344 -0.002928
C -0.092997 2.841808 -1.182093
C -0.697027 -1.874199 -0.171168
C -3.796489 0.499301 1.537389
C -2.557745 -1.715841 1.488729
C -3.982931 1.802780 1.047363
C -1.457377 -2.429407 0.836662
C 0.442267 -2.495091 -0.876872
C 0.577007 -3.909817 -0.928044
C 1.421087 -1.677690 -1.508328
C 1.670114 -4.496968 -1.595761
C 2.510900 -2.273758 -2.176640
C 2.640859 -3.681223 -2.224935
H 3.380077 3.540501 0.788859
H 1.714425 2.979108 1.049642
H 4.776313 1.737180 -0.417189
H 5.183876 1.778197 1.316520
H 3.318674 0.080671 2.460223
H 3.046808 1.769961 2.958461
H 3.143547 2.539497 -1.643664
H 2.201294 4.030000 -1.221363
H -0.875539 1.178964 -2.307902
H -1.860990 2.678292 -2.355569
H 4.946285 -0.760504 1.409490
H 4.411499 -0.767149 -0.293043
H 6.086368 -0.271783 0.131501
H 0.600667 1.546788 2.182569
H 0.953529 -0.129947 1.671799
H 1.036457 0.325935 3.404513
H -3.309548 3.312203 -0.380617
H -4.411810 0.082451 2.341307
H -4.762886 2.444047 1.470087
H -1.226043 -3.432566 1.202066
H -0.184516 -4.549585 -0.469180
H 1.335312 -0.587891 -1.450782
H 1.760169 -5.587824 -1.635809
H 3.261085 -1.637884 -2.659735
H 3.487694 -4.139110 -2.748010


