%chk=000056751.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056751

0 1
 O   -2.730100      -2.191200      1.7600000E-02
 O   0.3500000      8.6400002E-02  -1.575900    
 O   -1.676400      -1.359500      -1.852800    
 N   -2.350300       1.133400      0.5372000    
 N    3.479400      0.5051000     -0.1794000    
 N    1.218900      0.5729000      0.5093000    
 C  -0.7877000     -0.8475000      0.3765000    
 C   -1.625200      0.1055000       1.277100    
 C   -1.422300       2.047100     -0.1474000    
 C   -3.297100       1.850800       1.388500    
 C   -2.018200       3.430400     -0.4456000    
 C   -4.225400       2.718900      0.5307000    
 C   -3.521000       3.354700     -0.6705000    
 C  -9.5100001E-02  -1.978000       1.194000    
 C   0.3035000     -1.8300001E-02 -0.3505000    
 C    4.592800       1.264400     -0.7656000    
 C    3.877700     -0.1319000       1.083800    
 C    5.796100      0.3597000      -1.035100    
 C    5.057700      -1.082400      0.8747000    
 C    6.238900     -0.3662000      0.2303000    
 C    2.321300       1.373800      2.8500000E-02
 C   -1.757200      -1.488200     -0.6372000    
 C   0.6898000      -2.986700      0.3619000    
 C   -3.713600      -2.811200     -0.8166000    
 C   -4.706600      -3.541900      6.6500001E-02
 H   -2.349500     -0.5064000       1.832300    
 H  -0.9922000      0.5664000       2.047100    
 H   -1.201000       1.647100      -1.135500    
 H  -0.5203000       2.253000      0.4323000    
 H   -3.923700       1.152300       1.956800    
 H   -2.767700       2.471100       2.123800    
 H   -1.821200       4.103500      0.3992000    
 H   -1.525300       3.870500      -1.320200    
 H   -5.069400       2.120300      0.1658000    
 H   -4.653400       3.504900       1.164500    
 H   -3.933400       4.351300     -0.8631000    
 H   -3.720500       2.754100      -1.567100    
 H   0.5772000      -1.552900       1.948100    
 H  -0.8543000      -2.532400       1.761100    
 H    4.892600       2.089500     -0.1060000    
 H    4.279000       1.706900      -1.718900    
 H    3.064000     -0.7342000       1.502700    
 H    4.144300      0.6233000       1.835200    
 H    5.536700     -0.3764000      -1.806700    
 H    6.626900      0.9561000      -1.428800    
 H    5.364900      -1.508900       1.836300    
 H    4.746000      -1.920300      0.2379000    
 H    7.031600      -1.084500     -5.5999998E-03
 H    6.659400      0.3575000      0.9394000    
 H    2.022800       1.854500     -0.9099000    
 H    2.516300       2.155700      0.7716000    
 H    1.119600      0.4662000       1.513200    
 H    1.139900      -3.739400       1.017500    
 H   4.4799998E-02  -3.510800     -0.3495000    
 H    1.499200      -2.504600     -0.1943000    
 H   -3.225200      -3.521700      -1.492700    
 H   -4.232200      -2.044700      -1.402800    
 H   -5.477800      -4.031000     -0.5350000    
 H   -4.198000      -4.297900      0.6736000    
 H   -5.187600      -2.846000      0.7619000    


%chk=000056751-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056751

0 1
O -2.566910 -2.001361 -0.317444
O 0.805035 -0.276762 -1.753177
O -2.087298 -0.315735 -1.839979
N -2.309103 1.295747 0.813773
N 3.729827 0.379814 -0.076773
N 1.344236 0.892485 0.171251
C -0.673598 -0.582257 0.206681
C -1.352863 0.311387 1.315858
C -1.728752 2.395718 0.001927
C -3.324719 1.762049 1.782566
C -2.790085 3.492401 -0.283505
C -4.585952 2.267824 1.024448
C -4.196170 2.858783 -0.360429
C -0.097357 -1.850641 0.938297
C 0.519632 0.050279 -0.566132
C 4.830463 0.437379 -1.070885
C 4.216473 0.448614 1.320634
C 5.834429 -0.709698 -0.837277
C 5.209788 -0.693727 1.618342
C 6.380254 -0.673882 0.608632
C 2.638107 1.331750 -0.362908
C -1.802208 -0.924473 -0.790632
C 0.699355 -2.829279 0.052000
C -3.771913 -2.335218 -1.133230
C -4.436598 -3.537746 -0.470255
H -1.905413 -0.384716 1.973933
H -0.547610 0.765378 1.960815
H -1.373479 1.965028 -0.951824
H -0.843437 2.853718 0.515485
H -3.592755 0.921319 2.448733
H -2.925040 2.574712 2.441543
H -2.778921 4.261062 0.514886
H -2.533115 4.007048 -1.227261
H -5.297637 1.433290 0.882470
H -5.094881 3.032961 1.643515
H -4.947275 3.603293 -0.685176
H -4.177170 2.053975 -1.117975
H 0.551668 -1.490392 1.763185
H -0.951499 -2.381151 1.395198
H 5.381833 1.414253 -1.020939
H 4.385657 0.355333 -2.079538
H 3.345325 0.371808 1.999434
H 4.716833 1.433996 1.527582
H 5.317878 -1.672420 -1.014383
H 6.660751 -0.629326 -1.569480
H 5.584080 -0.596576 2.655819
H 4.672657 -1.658727 1.541018
H 7.060579 -1.527751 0.787830
H 6.976343 0.251312 0.754713
H 2.530027 1.405121 -1.458363
H 2.843524 2.350321 0.049029
H 1.072693 1.166897 1.115457
H 0.993191 -3.714790 0.645656
H 0.090809 -3.176556 -0.801408
H 1.614057 -2.365320 -0.354331
H -3.444840 -2.547292 -2.167086
H -4.427466 -1.445297 -1.157783
H -5.338969 -3.827947 -1.039120
H -3.750362 -4.401657 -0.443804
H -4.739706 -3.302157 0.564583


