%chk=000120867.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120867

0 1
 O  -3.7900001E-02  0.9002000       2.148500    
 O  -0.1007000      -1.461800      -2.826700    
 N   -1.661600     -0.1214000      -1.851700    
 N    4.484000       1.502900      3.5399999E-02
 C  -0.3243000      0.4941000      0.7953000    
 C   0.7019000       1.273200     -5.6299999E-02
 C   -1.763700      0.8646000      0.4385000    
 C  -0.1188000      -1.012100      0.6927000    
 C    2.117400      0.9988000      0.4259000    
 C    3.127800       1.749600     -0.4398000    
 C   -2.313900      0.5957000     -0.8287000    
 C  -0.2730000      -1.701200     -0.5206000    
 C   -2.569400       1.564800       1.364100    
 C   0.2349000      -1.770900       1.830000    
 C  -0.6483000      -1.057900      -1.798400    
 C   -3.585600       1.097900      -1.164900    
 C  -5.5599999E-02  -3.091200     -0.5852000    
 C   -3.847100       2.020700       1.033300    
 C   0.4420000      -3.150500       1.761300    
 C   -4.351000       1.798700     -0.2383000    
 C   0.2993000      -3.811300      0.5511000    
 C    5.455300       2.246000     -0.7695000    
 C    4.788700      7.1199998E-02  4.3000001E-03
 H   0.6282000       1.058700      -1.126000    
 H   0.5077000       2.350000      4.9600001E-02
 H    2.246400       1.301600       1.471800    
 H    2.295000     -7.7600002E-02  0.3644000    
 H    3.015500       1.451800      -1.490900    
 H    2.910000       2.823600     -0.3817000    
 H   -2.212400       1.810500       2.360600    
 H   0.3769000      -1.310500       2.804100    
 H  -0.6798000      0.4856000       2.749600    
 H   -2.033100      3.4800000E-02  -2.786400    
 H   -4.004300      0.9212000      -2.154100    
 H  -0.1735000      -3.632900      -1.521300    
 H   -4.435200       2.566100       1.765400    
 H   0.7186000      -3.702700       2.654500    
 H   -5.337000       2.163800     -0.5086000    
 H   0.4599000      -4.883300      0.4903000    
 H    5.247200       3.321100     -0.7281000    
 H    5.447600       1.932800      -1.819900    
 H    6.468300       2.109200     -0.3750000    
 H    5.856700     -9.4899997E-02  0.1925000    
 H    4.548900     -0.3894000     -0.9611000    
 H    4.279000     -0.4731000      0.8053000    


%chk=000120867-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000120867

0 1
O -0.156606 0.860701 2.265343
O -0.422870 -1.773129 -2.877011
N -1.638025 -0.124366 -1.853210
N 4.560848 1.464604 -0.017135
C -0.388226 0.440387 0.869543
C 0.694180 1.223061 0.064795
C -1.806652 0.891051 0.435009
C -0.214617 -1.096281 0.758187
C 2.147482 0.841877 0.418210
C 3.146858 1.668990 -0.416238
C -2.341420 0.605086 -0.853835
C -0.410298 -1.819187 -0.456741
C -2.583679 1.697823 1.303585
C 0.236271 -1.818605 1.893591
C -0.795851 -1.236400 -1.784204
C -3.610093 1.120810 -1.232615
C -0.171829 -3.220614 -0.493488
C -3.848568 2.201952 0.933065
C 0.443825 -3.213212 1.855215
C -4.365365 1.912456 -0.348592
C 0.233181 -3.925075 0.653791
C 5.449831 2.472887 -0.630553
C 5.046219 0.091693 -0.267374
H 0.516404 1.073384 -1.016134
H 0.523331 2.295282 0.279193
H 2.333631 1.027164 1.490567
H 2.297917 -0.238310 0.235123
H 2.991624 1.443208 -1.507064
H 2.919413 2.744792 -0.277447
H -2.159550 1.981141 2.271033
H 0.473014 -1.270365 2.809401
H -0.821624 0.408003 2.847587
H -1.896394 0.086479 -2.823929
H -4.004691 0.880255 -2.227533
H -0.301920 -3.729756 -1.453388
H -4.413266 2.827803 1.631731
H 0.789118 -3.734601 2.754943
H -5.342837 2.297397 -0.657807
H 0.397288 -5.006687 0.608572
H 5.105983 3.486980 -0.358245
H 5.490852 2.410842 -1.749169
H 6.478051 2.345538 -0.246316
H 6.096861 0.009788 0.063901
H 4.999396 -0.200733 -1.348686
H 4.453804 -0.637614 0.309634


