%chk=000054716.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054716

0 1
 I  -0.2875000       4.560300      -1.490000    
 O  -0.3115000     -0.5842000      -1.949800    
 O    3.990500      0.3274000     -0.9501000    
 N    2.147600      -1.051200     -0.4926000    
 N  -0.8873000      -1.385100       1.381700    
 N   -1.399500      -1.004100      0.1263000    
 C   0.9035000      -1.119900      3.0400001E-02
 C    2.726500      -2.295100      -1.043500    
 C   0.5045000      -1.388200       1.279800    
 C  -0.3283000     -0.8902000     -0.7687000    
 C    1.880500      -2.804500      -2.203100    
 C    2.861500      -3.350700      4.6999998E-02
 C    2.855200      0.1754000     -0.4991000    
 C   -2.713100     -0.5061000     -6.0500000E-02
 C    1.364900      -1.712400       2.454400    
 C   -1.585000      -2.427500       2.128400    
 C    2.210400       1.379400      5.2000001E-02
 C   -3.250100     -0.4010000      -1.347400    
 C   -3.482400     -0.1165000       1.040600    
 C    1.457800       2.190800     -0.7821000    
 C    2.367700       1.677000       1.396300    
 C   -4.543100      8.8900000E-02  -1.531600    
 C   -4.775400      0.3732000      0.8562000    
 C   -5.305800      0.4759000     -0.4299000    
 C   0.8464000       3.329900     -0.2581000    
 C    1.756400       2.815900       1.920200    
 C   0.9956000       3.642300       1.093200    
 H    3.728100      -2.065300      -1.424800    
 H    2.376800      -3.653900      -2.685900    
 H   0.8927000      -3.152400      -1.884100    
 H    1.745500      -2.028500      -2.964000    
 H    3.453500      -2.978800      0.8886000    
 H    3.384900      -4.228600     -0.3492000    
 H    1.895300      -3.704500      0.4192000    
 H    1.054400      -1.119700       3.321600    
 H    2.418300      -1.481100       2.275200    
 H    1.283400      -2.771400       2.717300    
 H   -2.670000      -2.406100       2.002300    
 H   -1.377000      -2.325600       3.198800    
 H   -1.245600      -3.418500       1.804900    
 H   -2.700100     -0.7178000      -2.227500    
 H   -3.093700     -0.1436000       2.054500    
 H    1.350700       1.936700      -1.833900    
 H    2.962600       1.042500       2.046700    
 H   -4.958600      0.1636000      -2.532300    
 H   -5.366600      0.6830000       1.713100    
 H   -6.312300      0.8580000     -0.5733000    
 H    1.873500       3.059400       2.972200    
 H   0.5277000       4.524700       1.522200    


%chk=000054716-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054716

0 1
I -1.005639 4.027354 -0.630519
O -0.523013 -0.540621 -2.106549
O 4.218467 -0.068143 -0.247436
N 2.110704 -1.035362 -0.510708
N -1.045741 -1.344016 1.319629
N -1.532826 -1.101059 -0.005201
C 0.763275 -1.141753 -0.059537
C 2.752172 -2.201962 -1.222501
C 0.350606 -1.427200 1.238884
C -0.419460 -0.906496 -0.898233
C 1.801468 -2.825610 -2.259772
C 3.271487 -3.243471 -0.204829
C 2.953670 0.020922 -0.134190
C -2.858853 -0.606615 -0.215956
C 1.177474 -1.763380 2.444178
C -1.836701 -2.251141 2.179209
C 2.328035 1.286280 0.402901
C -3.493093 -0.873870 -1.454700
C -3.518411 0.162966 0.776489
C 1.194706 1.884977 -0.208872
C 2.976411 1.938220 1.480929
C -4.791683 -0.375074 -1.688634
C -4.825470 0.636363 0.536272
C -5.468675 0.369780 -0.694666
C 0.715998 3.111761 0.294897
C 2.474778 3.159787 1.975864
C 1.334342 3.757335 1.388502
H 3.624663 -1.762616 -1.737999
H 2.360108 -3.572260 -2.852750
H 0.953762 -3.345233 -1.776150
H 1.391512 -2.060991 -2.939611
H 3.994163 -2.780569 0.489221
H 3.784681 -4.065471 -0.736288
H 2.436526 -3.683928 0.372041
H 0.979715 -1.062250 3.275394
H 2.244628 -1.695864 2.183550
H 0.984793 -2.789415 2.810030
H -2.886889 -1.924005 2.195236
H -1.437724 -2.194384 3.203896
H -1.791358 -3.298060 1.820301
H -2.961323 -1.443351 -2.220427
H -2.995422 0.419051 1.704168
H 0.724220 1.417914 -1.079736
H 3.880715 1.488374 1.903101
H -5.276890 -0.574423 -2.650201
H -5.331770 1.232579 1.303369
H -6.479960 0.746684 -0.881056
H 2.971889 3.661451 2.813067
H 0.949438 4.708595 1.766994


