%chk=000089511.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089511

0 1
 O   -5.885700     -0.7020000      0.6366000    
 N    1.102000     -0.4722000      6.0100000E-02
 N   -1.738700     -0.7049000     -0.2593000    
 C   0.2765000      0.7267000     -0.1834000    
 C   -1.165200      0.5195000      0.3078000    
 C   0.8708000       1.938700      0.5368000    
 C   0.4932000      -1.769600     -0.2626000    
 C  -0.9605000      -1.855100      0.2054000    
 C    2.266500       2.215400      9.4999997E-03
 C    2.500300     -0.3238000      2.6000000E-03
 C    3.100600      0.9604000      4.6999999E-03
 C   -3.141200     -0.8435000      0.1327000    
 C    3.380800      -1.425500     -2.8200001E-02
 C    4.499300       1.110100     -5.3900000E-02
 C   -3.955800      0.3365000     -0.3865000    
 C    4.771300      -1.269100     -7.3899999E-02
 C    5.331300     -1.1000000E-03 -8.9100003E-02
 C   -5.427700      0.2266000     -2.7400000E-02
 C   -6.317800       1.332900     -0.5319000    
 H   0.2556000      0.9183000      -1.266200    
 H   -1.198500      0.4917000       1.405900    
 H   -1.703500       1.414500     -1.4000000E-02
 H   0.9170000       1.749300       1.617900    
 H   0.2441000       2.826400      0.3910000    
 H    1.012100      -2.595100      0.2342000    
 H   0.5487000      -1.935000      -1.346000    
 H   -1.389700      -2.785100     -0.1876000    
 H  -0.9879000      -1.925800       1.301600    
 H    2.737000       2.984400      0.6336000    
 H    2.211000       2.601600      -1.015600    
 H   -3.245700     -0.9225000       1.223200    
 H   -3.552000      -1.767700     -0.2938000    
 H    3.016800      -2.448500     -2.1800000E-02
 H   -3.645700       1.286300      5.7300001E-02
 H   -3.876900      0.4067000      -1.477300    
 H    4.942500       2.103100     -7.1199998E-02
 H    5.412200      -2.146000     -9.9799998E-02
 H    6.408900      0.1223000     -0.1296000    
 H   -5.990700       2.287300     -0.1120000    
 H   -7.349900       1.146000     -0.2227000    
 H   -6.277400       1.366700      -1.623400    


%chk=000089511-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089511

0 1
O -5.974364 -1.150600 0.132938
N 1.139663 -0.402613 -0.017594
N -1.760645 -0.564225 -0.176787
C 0.324515 0.823650 -0.223848
C -1.084485 0.632351 0.375992
C 1.008348 2.048590 0.409516
C 0.458596 -1.625348 -0.495883
C -0.941992 -1.764213 0.120119
C 2.418764 2.234839 -0.175262
C 2.557810 -0.322498 -0.005356
C 3.224397 0.949092 -0.050960
C -3.160415 -0.716704 0.289304
C 3.367556 -1.495309 0.089756
C 4.632887 1.002307 0.019282
C -4.093272 0.350960 -0.308209
C 4.773414 -1.415037 0.143609
C 5.425628 -0.162660 0.110343
C -5.579867 0.005875 -0.174988
C -6.563261 1.140779 -0.439389
H 0.199268 1.003664 -1.319003
H -0.990652 0.567071 1.491892
H -1.680077 1.531679 0.135909
H 1.070267 1.903762 1.505397
H 0.385503 2.943608 0.221185
H 1.041686 -2.517422 -0.223808
H 0.362184 -1.604851 -1.605584
H -1.440528 -2.650252 -0.314765
H -0.839190 -1.929281 1.223199
H 2.946384 3.060582 0.337513
H 2.334718 2.530828 -1.241842
H -3.236454 -0.698091 1.406160
H -3.527576 -1.707711 -0.032195
H 2.909481 -2.486922 0.138162
H -3.925108 1.356140 0.126219
H -3.866431 0.448709 -1.391652
H 5.116515 1.987824 -0.005730
H 5.357231 -2.339923 0.218538
H 6.517334 -0.095299 0.156824
H -6.609994 1.798123 0.451372
H -7.571085 0.738932 -0.627596
H -6.238752 1.768495 -1.289077


