%chk=000051780.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051780

1 1
 O    3.242100     -0.4959000      5.1500000E-02
 O  -0.2934000     -0.3210000     -0.5509000    
 O    1.938500       1.130300     -0.9359000    
 O   -1.421400      -1.455700       1.110700    
 N    6.806900      0.4897000      0.2927000    
 C    5.616900     -0.3865000      0.4357000    
 C    7.075700      0.8063000      -1.184800    
 C    8.056000     -0.1897000      0.8703000    
 C    6.598400       1.816500       1.035200    
 C    4.399700      0.3288000     -0.1164000    
 C   -5.132800      0.3298000     -0.3432000    
 C   -6.416300     -1.7100001E-02  0.4142000    
 C   -3.911100     -0.3302000      0.3039000    
 C   -7.633000      0.6677000     -0.2106000    
 C   -2.608600      2.1199999E-02 -0.4150000    
 C   -8.910300      0.3482000      0.5656000    
 C   0.9335000     -0.9306000     -0.1360000    
 C    2.070100      3.4100000E-02 -0.4070000    
 C   -1.399600     -0.6774000      0.1671000    
 C   -10.11690       1.054200     -3.2299999E-02
 C    1.105500      -2.222800     -0.9150000    
 H    5.799300      -1.327000     -9.8300003E-02
 H    5.481100     -0.6303000       1.496600    
 H    7.088000     -0.1344000      -1.743000    
 H    6.311600       1.487200      -1.566700    
 H    8.051400       1.298000      -1.253900    
 H    7.875100     -0.3873000       1.931000    
 H    8.215700      -1.125100      0.3260000    
 H    8.912200      0.4794000      0.7445000    
 H    6.244400       1.596000       2.046400    
 H    7.562000       2.334400       1.079900    
 H    5.891300       2.445400      0.4890000    
 H    4.496400      0.5279000      -1.187500    
 H    4.195400       1.263400      0.4128000    
 H   -5.218800      1.6000000E-03  -1.386000    
 H   -4.995000       1.417800     -0.3557000    
 H   -6.563400      -1.103900      0.4119000    
 H   -6.318700      0.2940000       1.461500    
 H   -4.045100      -1.419300      0.3065000    
 H   -3.838400     -2.3200000E-02   1.354900    
 H   -7.475300       1.753100     -0.2250000    
 H   -7.743700      0.3436000      -1.252500    
 H   -2.686600     -0.2670000      -1.469600    
 H   -2.438500       1.102200     -0.3555000    
 H   -8.797800      0.6558000       1.611800    
 H   -9.086900     -0.7336000      0.5625000    
 H   0.9280000      -1.114600      0.9456000    
 H   -10.27690      0.7461000      -1.070400    
 H   -9.985700       2.140800     -1.2300000E-02
 H   -11.01930      0.8106000      0.5372000    
 H    1.142000      -2.025800      -1.992700    
 H    2.027000      -2.743300     -0.6360000    
 H   0.2624000      -2.900300     -0.7444000    


%chk=000051780-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051780

1 1
O 3.609744 -1.970188 -1.160726
O 0.287978 -2.254735 -2.306609
O 2.643431 -0.384466 -2.581412
O 0.758348 -1.197356 -0.291902
N 3.475886 1.057266 0.927259
C 3.708949 -0.465453 0.764535
C 4.798592 1.815757 0.879277
C 2.826600 1.270543 2.296832
C 2.521463 1.592556 -0.145867
C 4.432509 -0.910859 -0.531191
C -3.560437 -0.126764 -0.046364
C -4.035210 0.957168 0.947301
C -2.021726 -0.247609 -0.118849
C -5.574339 1.073726 1.025687
C -1.578748 -1.338742 -1.115167
C -6.055546 2.149108 2.026506
C 1.716801 -2.691385 -2.453314
C 2.657080 -1.535101 -2.097886
C -0.083933 -1.565207 -1.157273
C -7.593944 2.257900 2.095363
C 1.870522 -3.134362 -3.909565
H 4.270558 -0.776585 1.660993
H 2.709234 -0.932601 0.780167
H 5.484215 1.396008 1.631843
H 5.239222 1.725372 -0.123847
H 4.610630 2.877867 1.098778
H 1.895571 0.685683 2.339724
H 3.519121 0.937614 3.085072
H 2.603108 2.340729 2.423628
H 1.561850 1.062840 -0.048220
H 2.394575 2.674211 0.016471
H 2.928421 1.394311 -1.147785
H 5.392608 -1.398348 -0.311366
H 4.591855 -0.093890 -1.257748
H -3.992425 -1.105537 0.248817
H -3.963751 0.100682 -1.054619
H -3.634821 0.730503 1.957939
H -3.609683 1.939998 0.653903
H -1.617990 -0.480135 0.885535
H -1.590413 0.728490 -0.419772
H -5.978083 1.306978 0.018523
H -6.003549 0.091189 1.312446
H -2.048562 -2.308174 -0.847096
H -1.926893 -1.119303 -2.141263
H -5.627071 3.131774 1.741054
H -5.655436 1.914863 3.034314
H 1.888770 -3.517102 -1.742424
H -8.046692 1.297490 2.405570
H -8.018324 2.525169 1.109412
H -7.912622 3.029626 2.819159
H 1.707533 -2.284389 -4.591853
H 2.882416 -3.541490 -4.079453
H 1.135707 -3.923539 -4.136139


