%chk=000068689.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068689

0 1
 O  -0.1718000      -1.149500      -2.187900    
 N  -0.4524000      -2.580800     -0.4363000    
 C  -4.6700001E-02 -0.1850000      5.9300002E-02
 C    1.178300     -0.5038000      0.9746000    
 C   -1.310100     -0.1175000      0.9753000    
 C   0.1600000       1.147200     -0.7275000    
 C  -0.2255000      -1.331900     -0.9712000    
 C    2.528500     -0.5937000      0.2519000    
 C   -2.641100      8.3499998E-02  0.2397000    
 C   0.4291000       2.392000      0.1255000    
 C    3.665600     -0.8269000       1.236800    
 C   -3.815000      5.8100000E-02   1.208500    
 C   0.7012000       3.608400     -0.7487000    
 H    1.013300      -1.452200       1.502400    
 H    1.247900      0.2531000       1.766000    
 H   -1.187400      0.6863000       1.712000    
 H   -1.384900      -1.039000       1.567700    
 H  -0.7143000       1.339800      -1.362600    
 H   0.9897000       1.027000      -1.436400    
 H    2.741400      0.3313000     -0.2923000    
 H    2.514500      -1.409000     -0.4793000    
 H   -2.645700       1.045600     -0.2825000    
 H   -2.791700     -0.6984000     -0.5117000    
 H  -0.4310000       2.606900      0.7678000    
 H    1.296500       2.240700      0.7748000    
 H    3.734300     -6.8000001E-03   1.958700    
 H    4.620000     -0.8918000      0.7048000    
 H    3.520500      -1.760900       1.789000    
 H   -3.874900     -0.9040000       1.727400    
 H   -4.754800      0.2115000      0.6687000    
 H   -3.721300      0.8493000       1.959100    
 H   0.8844000       4.489200     -0.1253000    
 H    1.581900       3.449900      -1.379200    
 H  -0.1534000       3.823700      -1.398100    
 H  -0.4982000      -2.758000      0.5610000    
 H  -0.5812000      -3.385400      -1.040900    


%chk=000068689-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068689

0 1
O -0.244953 -1.145391 -2.208760
N -0.311282 -2.602239 -0.426224
C -0.019576 -0.166608 0.075303
C 1.211339 -0.464631 0.999001
C -1.299042 -0.102162 0.981597
C 0.178826 1.152223 -0.734091
C -0.194709 -1.323111 -0.954636
C 2.567698 -0.635945 0.278537
C -2.636675 0.138955 0.246504
C 0.346721 2.439267 0.103942
C 3.699687 -1.026752 1.253167
C -3.840894 0.107458 1.212724
C 0.554913 3.680334 -0.792677
H 1.011175 -1.379423 1.597913
H 1.294330 0.355121 1.740699
H -1.150332 0.695970 1.737060
H -1.382365 -1.046804 1.560427
H -0.675398 1.273367 -1.425285
H 1.056769 1.030706 -1.396012
H 2.838198 0.304894 -0.237819
H 2.475145 -1.408962 -0.509775
H -2.609804 1.116513 -0.271689
H -2.772964 -0.627192 -0.541782
H -0.544787 2.602272 0.742066
H 1.211069 2.344282 0.791678
H 3.826166 -0.264287 2.045461
H 4.666161 -1.128725 0.726559
H 3.483089 -1.992010 1.749657
H -3.924192 -0.875733 1.714101
H -4.790208 0.294422 0.678282
H -3.739671 0.877689 2.001076
H 0.672691 4.600444 -0.190838
H 1.458554 3.567443 -1.420938
H -0.305566 3.826879 -1.472423
H -0.265815 -2.790359 0.572831
H -0.438596 -3.379003 -1.074538


