%chk=000178943.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178943

0 1
 O    4.517800     -0.7902000      0.2975000    
 O   -6.977000     -0.6990000     -2.7799999E-02
 O    3.402400       2.559600      0.6869000    
 O    4.409000     -0.4794000      -1.998100    
 N    3.525100      0.2328000      0.4280000    
 C   -1.234800       1.503000     -0.5108000    
 C  -8.4399998E-02  0.6369000     -4.1800000E-02
 C   -2.427100      0.6146000     -0.2237000    
 C  -0.5639000     -0.5969000      0.4530000    
 C   -2.006600     -0.6105000      0.3409000    
 C    1.267300      0.9325000     -5.9500001E-02
 C   -3.765300      0.8848000     -0.4502000    
 C   0.3160000      -1.550300      0.9374000    
 C   -2.932600      -1.581100      0.6851000    
 C    2.154000     -2.8700000E-02  0.4289000    
 C   -4.698400     -9.3699999E-02 -0.1032000    
 C    1.683200      -1.257700      0.9225000    
 C   -4.286300      -1.314400      0.4588000    
 C   -6.115200      0.1518000     -0.3251000    
 C    4.063200       1.528600      0.5552000    
 C   -6.580200       1.470100     -0.9335000    
 C    5.573000       1.639200      0.5350000    
 C    4.860800      -1.036700      -1.006700    
 C    5.900000      -2.115500      -1.048800    
 H   -1.153600       1.708300      -1.582100    
 H   -1.288900       2.425400      7.4500002E-02
 H    1.580200       1.869700     -0.5029000    
 H   -4.040900       1.838400     -0.8853000    
 H  -3.2499999E-02  -2.502800       1.322200    
 H   -2.629500      -2.527900       1.119700    
 H    2.377800      -2.001800       1.306400    
 H   -5.012400      -2.077600      0.7296000    
 H   -6.165600       1.590500      -1.937700    
 H   -6.300200       2.305200     -0.2862000    
 H   -7.671700       1.459600      -1.017900    
 H    5.865400       2.648600      0.8414000    
 H    5.949200       1.465000     -0.4757000    
 H    6.025400      0.9334000       1.236600    
 H    6.170700      -2.317500      -2.089100    
 H    6.794800      -1.788700     -0.5132000    
 H    5.500400      -3.032600     -0.6088000    


%chk=000178943-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178943

0 1
O 4.506022 -0.692441 0.397462
O -7.017749 -0.955405 -0.085644
O 3.593174 2.798494 0.473224
O 4.579879 -0.552195 -1.966272
N 3.632730 0.478521 0.378862
C -1.284353 1.646388 -0.402564
C -0.078452 0.791651 -0.031974
C -2.453549 0.688305 -0.204277
C -0.506753 -0.518538 0.341923
C -1.971653 -0.584687 0.236879
C 1.276089 1.149984 -0.031484
C -3.825234 0.904942 -0.392886
C 0.448398 -1.483935 0.728523
C -2.877549 -1.642712 0.490441
C 2.231704 0.169055 0.359610
C -4.743964 -0.155237 -0.139443
C 1.813407 -1.137556 0.741986
C -4.253379 -1.419718 0.300940
C -6.224959 0.006510 -0.319934
C 4.273156 1.734280 0.431140
C -6.769094 1.352687 -0.793298
C 5.792848 1.714336 0.437817
C 4.880285 -1.158261 -0.932550
C 5.648246 -2.446489 -0.772968
H -1.222117 2.016779 -1.444476
H -1.365510 2.541387 0.244783
H 1.606064 2.152855 -0.303548
H -4.187769 1.881434 -0.731980
H 0.143840 -2.492618 1.027516
H -2.518702 -2.620986 0.828773
H 2.560480 -1.868408 1.060965
H -4.989178 -2.209616 0.485379
H -6.353139 1.624858 -1.781363
H -6.502671 2.161159 -0.087043
H -7.864982 1.288178 -0.869478
H 6.135391 2.742279 0.625911
H 6.184622 1.385940 -0.542100
H 6.193223 1.037792 1.211207
H 6.448777 -2.494861 -1.527773
H 6.067374 -2.542957 0.239728
H 4.963645 -3.296192 -0.950510


