%chk=000162740.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162740

0 1
 O   0.3240000      -1.953300      9.5200002E-02
 O    1.524100     -0.9791000      -1.621500    
 N   0.4500000       2.884400     -0.3824000    
 C   0.4578000      0.4018000      6.8999998E-02
 C    1.069800       1.600000     -0.7440000    
 C    1.098300      0.3690000       1.484900    
 C    2.631800      0.2806000       1.454200    
 C   -1.081700      0.4548000      7.0400000E-02
 C    2.567700       1.719200     -0.5857000    
 C   0.8461000     -0.9067000     -0.6055000    
 C    3.263600       1.117500      0.3874000    
 C   -1.773500      0.4262000      -1.135900    
 C   -1.768100      0.5312000       1.277800    
 C   -3.167600      0.4742000      -1.134800    
 C   -3.162100      0.5792000       1.278800    
 C   -3.861900      0.5508000      7.2499998E-02
 C   0.6134000      -3.251900     -0.4321000    
 C  -3.1599998E-02  -4.298000      0.4517000    
 H   0.8722000       1.449600      -1.813300    
 H   0.7279000     -0.4695000       2.089100    
 H   0.8318000       1.283200       2.033200    
 H    2.940800     -0.7609000       1.305000    
 H    3.022700      0.5862000       2.431800    
 H    3.101900       2.326200      -1.312500    
 H    4.342400       1.239500      0.4190000    
 H   0.8638000       3.638900     -0.9282000    
 H   0.6249000       3.096600      0.5985000    
 H   -1.252900      0.3634000      -2.087100    
 H   -1.274600      0.5591000       2.242200    
 H   -3.712600      0.4511000      -2.073900    
 H   -3.703500      0.6395000       2.218500    
 H   -4.947300      0.5881000      7.3299997E-02
 H   0.2145000      -3.329600      -1.449700    
 H    1.698400      -3.403100     -0.4538000    
 H   0.1698000      -5.305300      7.6700002E-02
 H   0.3442000      -4.220300       1.477300    
 H   -1.115200      -4.147500      0.4982000    


%chk=000162740-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000162740

0 1
O 0.659738 -2.074875 0.154671
O 0.785809 -1.024590 -1.910040
N 0.585116 2.855992 -0.139208
C 0.355896 0.347576 0.121644
C 1.050788 1.559229 -0.644119
C 0.932947 0.304574 1.558460
C 2.456211 0.042594 1.570019
C -1.179010 0.548947 0.082931
C 2.564250 1.483657 -0.509107
C 0.641802 -0.945111 -0.664963
C 3.192205 0.816773 0.494896
C -1.864966 0.497049 -1.161773
C -1.929528 0.841778 1.248764
C -3.255321 0.728051 -1.235841
C -3.322743 1.071414 1.176827
C -3.993747 1.017023 -0.064834
C 0.814942 -3.387497 -0.547481
C 0.751511 -4.470117 0.524761
H 0.794503 1.441716 -1.716696
H 0.419943 -0.459794 2.167348
H 0.731127 1.298176 2.003029
H 2.652197 -1.040758 1.434821
H 2.870447 0.301563 2.565168
H 3.146715 2.027092 -1.264840
H 4.290978 0.808310 0.533762
H -0.213505 3.293119 -0.595596
H 1.284857 3.482018 0.252834
H -1.309136 0.259568 -2.076607
H -1.433859 0.898106 2.221457
H -3.762100 0.678643 -2.206514
H -3.881878 1.296325 2.092554
H -5.073684 1.195118 -0.119689
H 0.002818 -3.477536 -1.291519
H 1.777456 -3.379532 -1.090405
H 0.854743 -5.466494 0.057210
H 1.564005 -4.346982 1.261552
H -0.212227 -4.436023 1.060825


