%chk=000088656.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088656

0 1
 O  -8.3400004E-02  2.8200001E-02   2.122000    
 O    1.539800      -1.926500      -1.262200    
 O   0.6268000      -3.872200     -0.5614000    
 N  -0.2718000     -0.4105000     -0.1470000    
 N   -4.735100     -0.9302000       1.251900    
 N    4.279300       1.903600      -1.324700    
 N  -0.8588000       2.665900       1.126400    
 C  -0.5339000      -1.823000     -8.5000005E-03
 C   -1.881800      -2.207100     -0.6350000    
 C   0.2220000       1.855900      0.5612000    
 C    1.584700       2.314300       1.105000    
 C   -3.044700      -1.460900     -4.4500001E-02
 C    2.738500       1.892700      0.2380000    
 C   -3.551600     -0.2307000     -0.5050000    
 C    3.458800      0.6895000      0.3575000    
 C  -6.4999998E-02  0.4094000      0.9526000    
 C   -4.623400      8.7600000E-02  0.3316000    
 C    4.432000      0.7169000     -0.6439000    
 C   -3.773500      -1.878200       1.026700    
 C    3.246200       2.625500     -0.7898000    
 C   0.5838000      -2.648300     -0.6296000    
 C   -3.218100      0.6567000      -1.547400    
 C    3.394500     -0.4305000       1.210200    
 C   -5.381600       1.253700      0.1773000    
 C    5.347600     -0.3239000     -0.8358000    
 C   -3.967600       1.826900      -1.713800    
 C    4.304000      -1.479000       1.029900    
 C   -5.032400       2.118800     -0.8636000    
 C    5.264700      -1.424400      2.2000000E-02
 H  -0.5396000      -2.076300       1.058700    
 H   -2.050500      -3.285900     -0.5162000    
 H   -1.851600      -2.032600      -1.719100    
 H   0.1942000       1.974000     -0.5283000    
 H    1.742800       1.956300       2.130600    
 H    1.605900       3.411700       1.167200    
 H  -0.1880000     -3.0600000E-02  -1.085100    
 H   -3.706700      -2.755000       1.655500    
 H    2.978300       3.589500      -1.199100    
 H   -5.427100     -0.9706000       1.987400    
 H    4.848000       2.198500      -2.106500    
 H   -2.393300      0.4453000      -2.221700    
 H  -0.7119000       3.646100      0.8884000    
 H   -1.744700       2.400800      0.6968000    
 H    2.658300     -0.4900000       2.005700    
 H   -6.210500       1.481800      0.8388000    
 H    6.095700     -0.2824000      -1.620300    
 H   -3.714800       2.515000      -2.516100    
 H    4.259300      -2.345000       1.685000    
 H   -5.600900       3.033600      -1.010900    
 H    5.961000      -2.250100     -0.1003000    
 H    2.242900      -2.497500      -1.638700    


%chk=000088656-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088656

0 1
O -0.385310 0.347002 1.936052
O 1.671655 -1.788462 -1.546693
O 1.163524 -3.644275 -0.237872
N -0.080425 -0.211269 -0.307603
N -4.603112 -1.178487 1.236388
N 4.317104 1.607520 -1.440269
N -0.907089 3.051706 0.969133
C -0.277188 -1.646420 -0.105075
C -1.602744 -2.174526 -0.769146
C 0.123460 2.175184 0.373210
C 1.538011 2.612367 0.871388
C -2.830788 -1.545282 -0.163318
C 2.680555 1.964996 0.125844
C -3.439122 -0.269074 -0.506405
C 3.275760 0.655910 0.357679
C -0.130263 0.691883 0.736979
C -4.546702 -0.063980 0.393214
C 4.292815 0.457309 -0.643897
C -3.571026 -2.063725 0.900213
C 3.348691 2.510103 -0.972652
C 0.911490 -2.474226 -0.593742
C -3.163379 0.727391 -1.481626
C 3.046134 -0.370795 1.313660
C -5.360128 1.090000 0.349413
C 5.058870 -0.727872 -0.724599
C -3.969765 1.881484 -1.532358
C 3.809208 -1.552071 1.243127
C -5.055783 2.063403 -0.623266
C 4.801217 -1.733288 0.232052
H -0.360444 -1.799707 0.986155
H -1.622433 -3.272225 -0.636965
H -1.553931 -1.976562 -1.857499
H 0.088694 2.307334 -0.725198
H 1.599369 2.393940 1.955707
H 1.570384 3.710841 0.756584
H 0.282203 0.094365 -1.212966
H -3.429404 -2.994775 1.446648
H 3.208611 3.479588 -1.448559
H -5.275825 -1.317061 1.986796
H 4.956152 1.777494 -2.213308
H -2.335904 0.599318 -2.188579
H -1.826631 2.923147 0.522863
H -0.983895 2.875259 1.981364
H 2.280049 -0.249476 2.087999
H -6.196332 1.231133 1.043497
H 5.834789 -0.861829 -1.487528
H -3.769335 2.653294 -2.284073
H 3.637146 -2.353136 1.969910
H -5.664231 2.972363 -0.686757
H 5.381243 -2.662775 0.208407
H 2.510853 -2.286237 -1.742427


