%chk=000081685.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081685

0 1
 O   0.5466000      0.6051000     -0.2533000    
 O  -0.7512000      -1.333300     -0.2098000    
 O    4.026500      -1.572200     -0.3838000    
 O    4.105900       1.222700      0.3498000    
 O    1.530400      -2.817200      0.5651000    
 O   0.4421000       3.327000      0.1161000    
 N   -2.383000     -0.4741000      -2.335700    
 C    2.946800     -0.8884000      0.2543000    
 C    2.969900      0.5683000     -0.2091000    
 C    1.626700      -1.565500     -0.1142000    
 C    1.698500       1.298200      0.2303000    
 C   0.4289000     -0.7069000      0.2920000    
 C    1.644600       2.719800     -0.3201000    
 C   -1.937000     -0.7029000      5.0400000E-02
 C   -2.756600     -0.2713000     -0.9894000    
 C   -2.314400     -0.4981000       1.375000    
 C   -3.961800      0.3697000     -0.7025000    
 C   -3.519700      0.1426000       1.661800    
 C   -4.343300      0.5767000      0.6231000    
 H    3.129300     -0.9606000       1.333600    
 H    3.076100      0.6018000      -1.300400    
 H    1.598900      -1.784600      -1.188300    
 H    1.635500       1.356500       1.325600    
 H   0.3742000     -0.6515000       1.387100    
 H    1.643400       2.725800      -1.415200    
 H    2.484300       3.324000      3.5000000E-02
 H    4.847400      -1.110500     -0.1411000    
 H    4.016900       1.204300       1.317900    
 H    1.555200      -2.644300       1.521700    
 H  -0.2961000       2.777700     -0.1986000    
 H   -1.698100     -0.8461000       2.198900    
 H   -4.613000      0.7127000      -1.502500    
 H   -3.819300      0.2997000       2.693800    
 H   -5.282300       1.074800      0.8467000    
 H   -2.984800     -0.1558000      -3.083400    
 H   -1.508600     -0.9351000      -2.550300    


%chk=000081685-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081685

0 1
O 0.689920 0.528808 -0.651113
O -0.758917 -1.252628 -0.296690
O 3.966940 -1.692317 0.542507
O 4.300118 1.212125 0.215321
O 1.329248 -2.550142 1.324869
O 0.533888 3.286290 -1.079666
N -1.995105 0.876887 -1.738986
C 2.857231 -0.743033 0.657886
C 3.082432 0.500381 -0.228029
C 1.583293 -1.538485 0.302776
C 1.816889 1.379318 -0.207398
C 0.375265 -0.592527 0.269799
C 1.798583 2.561964 -1.182061
C -2.045076 -0.747882 0.107135
C -2.664082 0.281143 -0.665699
C -2.692477 -1.350390 1.199108
C -3.979265 0.677882 -0.287253
C -3.994828 -0.938551 1.563679
C -4.630713 0.076176 0.808793
H 2.760910 -0.401205 1.717217
H 3.317047 0.193768 -1.261924
H 1.710150 -1.993382 -0.701106
H 1.612163 1.748191 0.825486
H 0.148702 -0.186903 1.280411
H 1.970520 2.182378 -2.212344
H 2.591203 3.285170 -0.932141
H 4.814539 -1.182409 0.624174
H 4.127876 1.627001 1.101244
H 2.139717 -3.118959 1.384909
H -0.210237 2.625055 -1.146189
H -2.170922 -2.150022 1.736079
H -4.482273 1.467550 -0.858815
H -4.504371 -1.406613 2.411496
H -5.642309 0.402990 1.074784
H -2.524867 1.402174 -2.430231
H -1.072294 0.519196 -1.987532


