%chk=000045026.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045026

0 1
 O   1.5500000E-02   2.097400      -2.024500    
 O   0.9274000     -0.7263000      0.6247000    
 O    1.119900      -4.372500      0.4901000    
 O  -0.6874000      -3.943800      -1.568600    
 N  -0.9004000      0.8517000     -0.2964000    
 C   -2.252500      0.8225000     -0.8086000    
 C   -3.047200       2.044400     -0.3357000    
 C   -2.958800     -0.4821000     -0.4246000    
 C   -3.392000       1.977900       1.152200    
 C   -3.303800     -0.5444000       1.063400    
 C   -4.104000      0.6763000       1.507500    
 C   0.1319000       1.496800     -0.9596000    
 C    1.468300       1.412300     -0.3161000    
 C    1.797100      0.3071000      0.4417000    
 C    2.347400       2.460200     -0.5054000    
 C    1.492000      -2.022200      0.8126000    
 C   0.5186000      -3.086800      0.3197000    
 C    3.057300      0.2467000       1.036400    
 C    3.607600       2.400200      8.9500003E-02
 C    3.962400       1.293600      0.8610000    
 C   0.2006000      -2.909000      -1.159200    
 H   -2.186800      0.8627000      -1.903100    
 H   -2.491400       2.967800     -0.5379000    
 H   -3.980600       2.105200     -0.9100000    
 H   -2.346300      -1.348900     -0.6898000    
 H   -3.887900     -0.5652000      -1.003100    
 H   -2.476100       2.068800       1.748600    
 H   -4.028900       2.829100       1.418800    
 H   -3.883400      -1.452900       1.264400    
 H   -2.387000     -0.6206000       1.659700    
 H   -4.274400      0.6321000       2.589100    
 H   -5.090700      0.6587000       1.028200    
 H  -0.7302000      0.4403000      0.6157000    
 H    2.084700       3.331700      -1.097700    
 H    1.696200      -2.182200       1.878300    
 H    2.437000      -2.142700      0.2645000    
 H  -0.4090000      -3.070000      0.9020000    
 H    3.366500     -0.5796000       1.669500    
 H    4.311500       3.216400     -4.5200001E-02
 H    4.941000       1.250800       1.330200    
 H  -0.2715000      -1.947500      -1.370000    
 H    1.102500      -2.990800      -1.775500    
 H    1.936900      -4.395400     -3.6899999E-02
 H  -0.2524000      -4.793000      -1.380400    


%chk=000045026-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045026

0 1
O -0.178817 3.093387 -1.281748
O 1.087547 -0.655713 0.333229
O 0.802840 -4.213165 1.405379
O -1.273128 -4.104237 -0.617878
N -0.866266 0.999423 -0.557356
C -2.271494 1.211937 -0.974306
C -3.033758 2.124924 0.028221
C -2.985285 -0.153174 -1.125664
C -3.278095 1.427554 1.385907
C -3.242009 -0.851167 0.233840
C -4.013499 0.077068 1.202167
C 0.094957 1.965630 -0.747766
C 1.511220 1.659395 -0.290556
C 2.001696 0.424137 0.231731
C 2.430392 2.733223 -0.403514
C 1.583714 -1.951698 0.817584
C 0.408821 -2.939029 0.758266
C 3.353879 0.288389 0.628247
C 3.778571 2.610218 -0.014889
C 4.238737 1.381198 0.505815
C -0.108979 -3.223244 -0.661063
H -2.235439 1.732817 -1.950086
H -2.467023 3.064437 0.155491
H -4.008239 2.392083 -0.430107
H -2.407282 -0.812668 -1.802562
H -3.960657 0.030720 -1.617903
H -2.304643 1.250745 1.887667
H -3.860651 2.094006 2.050757
H -3.794136 -1.794673 0.066962
H -2.278988 -1.143378 0.703715
H -4.153597 -0.422634 2.180493
H -5.027132 0.267056 0.791271
H -0.579441 0.114488 -0.127933
H 2.031210 3.666330 -0.815277
H 1.939527 -1.863904 1.862148
H 2.421379 -2.295692 0.172132
H -0.423190 -2.578574 1.386229
H 3.726891 -0.654840 1.036584
H 4.460384 3.460577 -0.114283
H 5.282268 1.265327 0.818622
H -0.445617 -2.296396 -1.151844
H 0.712485 -3.666095 -1.272903
H 1.577647 -4.599694 0.917632
H -1.067201 -4.840295 0.017051


