%chk=000086761.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086761

0 1
 O   -2.780500      -1.110000      9.9699996E-02
 O  -0.4282000      -1.879900      -1.639400    
 O   -3.896500      -3.107100     -5.2999999E-02
 O    3.822400     -0.8627000      6.3500002E-02
 O    4.304800      0.1122000      -1.962700    
 N   -1.617900      -3.061400      0.3453000    
 N    1.264200     -0.9662000     -0.3280000    
 C  -0.4313000      -2.300900      0.7101000    
 C   0.5202000      -3.335400       1.300500    
 C   0.1316000      -4.627700      0.5842000    
 C   -1.374800      -4.498100      0.4200000    
 C   0.1112000      -1.699200     -0.5509000    
 C   -2.854700      -2.477500      0.1154000    
 C    1.995900     -0.3034000      -1.383200    
 C    1.462900       1.116400      -1.625900    
 C    3.499600     -0.3148000      -1.141500    
 C    1.633400       2.063100     -0.4594000    
 C   -4.013000     -0.4181000     -0.1297000    
 C   0.6324000       2.167100      0.5066000    
 C    2.791900       2.832300     -0.3488000    
 C   -3.754800       1.060000     -0.1156000    
 C   0.7897000       3.040300       1.582900    
 C    2.949000       3.705400      0.7277000    
 C    5.220800     -0.9291000      0.3612000    
 C    1.947900       3.809300       1.693500    
 C   -3.841700       1.771900       1.080900    
 C   -3.427300       1.722200      -1.298900    
 C    5.405100      -1.558900       1.725400    
 C   -3.601500       3.145800       1.094100    
 C   -3.187000       3.096200      -1.285400    
 C   -3.274000       3.807900     -8.9000002E-02
 H  -0.6760000      -1.504200       1.421000    
 H   0.3179000      -3.448100       2.373000    
 H    1.583700      -3.110100       1.182300    
 H   0.6140000      -4.664800     -0.3999000    
 H   0.4187000      -5.525800       1.137900    
 H   -1.760200      -4.995400     -0.4746000    
 H   -1.911200      -4.881000       1.295000    
 H    1.605300     -0.8572000      0.6230000    
 H    1.839100     -0.8921000      -2.296200    
 H    1.961900       1.550300      -2.502900    
 H   0.3978000       1.072100      -1.891200    
 H   -4.431800     -0.7195000      -1.097700    
 H   -4.737100     -0.6830000      0.6507000    
 H  -0.2752000       1.574100      0.4324000    
 H    3.578200       2.766200      -1.095600    
 H   9.6000005E-03   3.121600       2.334300    
 H    3.850400       4.305200      0.8133000    
 H    5.642100      8.2400002E-02  0.3605000    
 H    5.727400      -1.535400     -0.3979000    
 H    2.070200       4.489500       2.531300    
 H   -4.093000       1.266700       2.009600    
 H   -3.352900       1.178100      -2.236600    
 H    6.465200      -1.626100       1.985500    
 H    4.970600      -2.563800       1.747500    
 H    4.888800     -0.9729000       2.492800    
 H   -3.667400       3.699800       2.026000    
 H   -2.930100       3.611600      -2.206300    
 H   -3.085400       4.877400     -7.8400001E-02


%chk=000086761-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086761

0 1
O -2.480833 -0.955886 0.978874
O -0.037031 -1.933042 -1.409236
O -3.826675 -2.849085 0.500994
O 3.496918 -0.745744 -0.393372
O 3.705210 1.138146 -1.741710
N -1.515410 -3.021512 0.846621
N 0.881717 -0.383299 0.065822
C -0.198687 -2.376847 1.019182
C 0.756333 -3.596792 1.187533
C 0.080749 -4.704796 0.337729
C -1.430397 -4.480683 0.579109
C 0.197150 -1.543806 -0.223225
C -2.700113 -2.342857 0.748070
C 1.455006 0.464508 -0.974268
C 1.024918 1.959545 -0.832742
C 2.989720 0.349472 -1.079973
C 1.319549 2.544481 0.542373
C -3.657045 -0.072112 0.760610
C 0.337424 2.497788 1.568294
C 2.580912 3.129395 0.834608
C -3.336658 0.952875 -0.308506
C 0.611464 3.013755 2.856196
C 2.854991 3.646848 2.120776
C 4.976404 -0.960003 -0.509377
C 1.872815 3.587942 3.137459
C -3.574878 2.329666 -0.075125
C -2.820739 0.544513 -1.565979
C 5.296875 -2.235741 0.261508
C -3.318002 3.286580 -1.084784
C -2.560220 1.498888 -2.572581
C -2.811145 2.872974 -2.337649
H -0.202606 -1.726003 1.912589
H 0.787093 -3.888213 2.253751
H 1.783314 -3.362845 0.860377
H 0.311903 -4.546501 -0.728826
H 0.403039 -5.718482 0.628857
H -2.054809 -4.741369 -0.291500
H -1.803137 -5.049659 1.452993
H 0.995076 -0.087974 1.037967
H 1.055610 0.074898 -1.933601
H 1.559122 2.523645 -1.617183
H -0.056691 2.009834 -1.046747
H -4.508127 -0.720027 0.475610
H -3.877103 0.410470 1.728726
H -0.650415 2.075868 1.343984
H 3.341025 3.183988 0.046320
H -0.159532 2.976084 3.634431
H 3.830243 4.102197 2.327952
H 5.484483 -0.070915 -0.094385
H 5.229840 -1.033483 -1.582058
H 2.084568 3.993433 4.133280
H -3.965827 2.656842 0.896831
H -2.610119 -0.515142 -1.749822
H 6.382275 -2.438212 0.212388
H 4.763988 -3.100766 -0.169329
H 5.010316 -2.138997 1.322784
H -3.507565 4.348453 -0.892073
H -2.165136 1.171045 -3.540614
H -2.610747 3.611954 -3.121529


