%chk=000054737.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054737

0 1
 O  -0.1740000      -3.512500      0.7124000    
 O   -3.576900      0.7938000      -1.359300    
 O   -5.497800     -0.2180000      0.3765000    
 N   0.6480000       2.884400     -0.7107000    
 N   0.6996000      -1.463900     -4.0300000E-02
 C    1.983200       2.960900     -8.5600004E-02
 C    2.036700       3.909400       1.126300    
 C   0.9306000       3.633600       2.140200    
 C  -0.4248000       2.632800      0.2629000    
 C  -0.4298000       3.590400       1.455600    
 C    2.476000       1.553700      0.2804000    
 C    2.460400      0.6387000     -0.9378000    
 C   0.3635000       4.061900      -1.531700    
 C    2.952300     -0.7425000     -0.5880000    
 C    2.067200      -1.722900     -0.1610000    
 C    4.310300      -1.008300     -0.7038000    
 C    2.548700      -2.993000      0.1563000    
 C    4.791700      -2.278500     -0.3864000    
 C    3.911000      -3.270900      4.3699998E-02
 C  -0.3093000      -2.341300      0.3747000    
 C   -1.684100      -1.776000      0.3723000    
 C   -1.980400     -0.7501000     -0.5005000    
 C   -2.618400      -2.295900       1.243300    
 C   -3.270400     -0.2199000     -0.5024000    
 C   -3.908500      -1.765800       1.241300    
 C   -4.234500     -0.7277000      0.3684000    
 C   -4.070100      0.4276000      -2.646500    
 H    2.697400       3.343900     -0.8284000    
 H    1.945900       4.946500      0.7794000    
 H    3.012400       3.837200       1.621700    
 H    1.117500       2.681000       2.649400    
 H   0.9333000       4.409500       2.913900    
 H  -0.3297000       1.607500      0.6383000    
 H   -1.401600       2.663000     -0.2356000    
 H    1.872300       1.117100       1.084800    
 H    3.498200       1.623500      0.6759000    
 H  -0.7080000       4.598900       1.127000    
 H   -1.192600       3.274200       2.176400    
 H    1.485700      0.5882000      -1.433300    
 H    3.123100       1.060100      -1.707400    
 H  -0.5975000       3.947000      -2.045600    
 H    1.119500       4.172000      -2.317200    
 H   0.3329000       4.992000     -0.9555000    
 H    5.007400     -0.2437000      -1.035100    
 H    1.938700      -3.817200      0.4959000    
 H    5.852500      -2.494600     -0.4734000    
 H   0.4269000     -0.5047000     -0.2152000    
 H    4.287500      -4.259400      0.2907000    
 H   -1.269100     -0.3566000      -1.219700    
 H   -2.379400      -3.099600       1.933300    
 H   -4.649500      -2.169600       1.926000    
 H   -6.026400     -0.6919000       1.041400    
 H   -4.275500       1.343200      -3.207800    
 H   -3.321800     -0.1566000      -3.191500    
 H   -4.999600     -0.1433000      -2.555500    


%chk=000054737-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054737

0 1
O -0.078694 -3.068571 1.055458
O -3.304245 0.956478 -2.109796
O -5.455721 0.197499 -0.361649
N 0.312118 2.217699 -0.181387
N 0.908212 -1.219674 -0.026154
C 1.705496 2.786869 -0.118765
C 1.821632 4.018371 0.828373
C 1.229790 3.744516 2.231986
C -0.287908 2.012628 1.175749
C -0.231414 3.256634 2.097941
C 2.703451 1.649039 0.207717
C 2.864588 0.688550 -1.010579
C -0.578619 2.983849 -1.093384
C 3.243398 -0.728135 -0.616475
C 2.271938 -1.645073 -0.094831
C 4.585872 -1.156359 -0.728588
C 2.678000 -2.946957 0.310586
C 4.991507 -2.450722 -0.335695
C 4.026917 -3.339815 0.186110
C -0.182181 -1.953447 0.448850
C -1.541308 -1.350355 0.209020
C -1.834208 -0.473284 -0.864153
C -2.592492 -1.756542 1.068772
C -3.138419 0.026398 -1.067835
C -3.894509 -1.259803 0.882544
C -4.176472 -0.356154 -0.169679
C -4.417602 0.736541 -3.060082
H 1.938654 3.134105 -1.146816
H 1.277981 4.872802 0.375846
H 2.884307 4.321349 0.903052
H 1.829692 2.971293 2.754187
H 1.282511 4.659961 2.851483
H 0.251460 1.183673 1.676054
H -1.329398 1.673939 1.032368
H 2.359986 1.080478 1.091900
H 3.689301 2.073372 0.478337
H -0.860901 4.070252 1.684741
H -0.651413 2.994534 3.088446
H 1.911437 0.701728 -1.578136
H 3.634133 1.097651 -1.691302
H -1.550998 2.471951 -1.187013
H -0.121218 3.020235 -2.098715
H -0.769650 4.033356 -0.769359
H 5.323929 -0.453491 -1.135033
H 1.932684 -3.628400 0.722165
H 6.038467 -2.757003 -0.435012
H 0.711056 -0.253320 -0.331020
H 4.318530 -4.347964 0.501595
H -1.068714 -0.160782 -1.581151
H -2.365352 -2.468953 1.866971
H -4.700115 -1.563938 1.564417
H -6.078930 -0.121958 0.337449
H -4.313856 1.539669 -3.805212
H -4.310479 -0.249172 -3.551917
H -5.391529 0.802053 -2.549176


