%chk=000076116.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076116

0 1
 O   0.3007000      -2.628800       1.251900    
 O  -0.3009000       2.631000       1.248000    
 N   -1.065500     -0.7823000       1.104400    
 N    1.065500      0.7844000       1.103200    
 C   -1.277500      0.5328000      0.5177000    
 C    1.277500     -0.5316000      0.5185000    
 C   -2.651700       1.079000      0.8703000    
 C    2.651500      -1.077500      0.8720000    
 C   0.1594000      -1.428100       1.033200    
 C  -0.1595000       1.429900       1.031000    
 C   -3.730700      0.4872000      1.4000000E-03
 C    3.730600     -0.4873000      2.2000000E-03
 C   -4.068700       1.114200      -1.189200    
 C    4.068600      -1.116200      -1.187400    
 C   -4.370600     -0.6758000      0.4049000    
 C    4.370800      0.6763000      0.4038000    
 C   -5.068000      0.5667000      -1.993600    
 C    5.068100     -0.5699000      -1.992800    
 C   -5.369900      -1.223600     -0.3996000    
 C    5.370200       1.222600     -0.4014000    
 C   -5.718600     -0.6022000      -1.598800    
 C    5.718800      0.5994000      -1.599700    
 H   -1.148200      0.4417000     -0.5685000    
 H    1.148200     -0.4423000     -0.5679000    
 H   -2.684100       2.169700      0.7487000    
 H    2.885800     -0.9010000       1.930800    
 H   -2.886000      0.9040000       1.929300    
 H    2.683700      -2.168500      0.7521000    
 H   -1.867200      -1.337400       1.385300    
 H    1.867200       1.339900       1.383200    
 H   -3.566500       2.023600      -1.507100    
 H    3.566200      -2.026000      -1.504000    
 H   -4.117200      -1.164600       1.340900    
 H    4.117400       1.166600       1.339100    
 H   -5.339200       1.050000      -2.927600    
 H    5.339200      -1.054900      -2.926000    
 H   -5.878200      -2.132500     -9.1200002E-02
 H    5.878700       2.131800     -9.4300002E-02
 H   -6.497000      -1.028500      -2.224900    
 H    6.497300       1.024600      -2.226400    


%chk=000076116-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076116

0 1
O 0.094728 -2.745815 -0.133548
O -0.094631 2.745343 -0.137768
N -1.136209 -0.780653 -0.210979
N 1.136285 0.780059 -0.212253
C -1.333420 0.661431 -0.449961
C 1.333477 -0.662384 -0.449088
C -2.469099 1.219083 0.460711
C 2.469220 -1.218648 0.462356
C 0.046170 -1.483478 -0.247164
C -0.046099 1.482824 -0.249352
C -3.807164 0.549495 0.186594
C 3.807212 -0.549299 0.187294
C -4.584728 0.926326 -0.940744
C 4.584858 -0.927605 -0.939494
C -4.293360 -0.484776 1.028587
C 4.293239 0.486230 1.027838
C -5.811854 0.286272 -1.219846
C 5.811895 -0.287758 -1.219470
C -5.522383 -1.128455 0.752207
C 5.522165 1.129709 0.750576
C -6.284176 -0.746224 -0.374834
C 6.284039 0.746005 -0.375909
H -1.643584 0.825462 -1.505787
H 1.643569 -0.828002 -1.504686
H -2.512221 2.305844 0.271768
H 2.167824 -1.076208 1.516198
H -2.167718 1.078115 1.514753
H 2.512454 -2.305671 0.274962
H -1.987374 -1.344960 -0.102035
H 1.987460 1.344529 -0.104231
H -4.232176 1.735276 -1.593316
H 4.232446 -1.737538 -1.590923
H -3.716009 -0.774276 1.915909
H 3.715820 0.776898 1.914734
H -6.402527 0.594362 -2.089920
H 6.402636 -0.596995 -2.089091
H -5.883571 -1.921810 1.416012
H 5.883214 1.924065 1.413258
H -7.237414 -1.241467 -0.590048
H 7.237203 1.241092 -0.591809


