%chk=000044608.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044608

0 1
 O   0.9588000     -0.1739000      0.9815000    
 O   -3.769900     -0.4122000      0.1884000    
 O   -5.070100       1.179400     -0.8489000    
 N   -5.980700     -0.7841000     -7.2999999E-02
 C   -1.400800     -0.2868000      0.6019000    
 C  -0.1378000      0.5405000      0.4286000    
 C   -2.621400      0.4076000      1.8400000E-02
 C    2.190100      5.3700000E-02  0.4235000    
 C    2.906600     -0.9890000     -0.1535000    
 C    2.710000       1.343600      0.4438000    
 C    4.158000     -0.7394000     -0.7168000    
 C    2.357800      -2.377300     -0.1805000    
 C    3.961400       1.593400     -0.1197000    
 C    4.685300      0.5519000     -0.6999000    
 C   -4.947400      9.2600003E-02 -0.2939000    
 H   -1.271600      -1.271200      0.1338000    
 H   -1.565500     -0.5058000       1.664600    
 H   2.5100000E-02  0.7413000     -0.6383000    
 H  -0.2391000       1.497300      0.9534000    
 H   -2.466700      0.5945000      -1.051000    
 H   -2.781500       1.365800      0.5268000    
 H    2.161300       2.162600      0.9002000    
 H    4.735000      -1.539400      -1.172800    
 H    3.047100      -3.081000     -0.6594000    
 H    2.177600      -2.735000      0.8387000    
 H    1.417600      -2.403000     -0.7412000    
 H    4.373000       2.598400     -0.1047000    
 H    5.659900      0.7464000      -1.138100    
 H   -5.828900      -1.673300      0.3913000    
 H   -6.927500     -0.5700000     -0.3673000    


%chk=000044608-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044608

0 1
O 0.852193 -0.583723 -0.036740
O -3.952707 -0.352300 0.146873
O -5.311104 1.577539 0.141879
N -6.211476 -0.591436 0.251115
C -1.543235 -0.399313 0.050676
C -0.238524 0.401428 -0.025385
C -2.761246 0.527939 0.067946
C 2.175676 -0.100819 -0.099557
C 3.181774 -1.112161 -0.107313
C 2.512396 1.272803 -0.150635
C 4.530357 -0.696112 -0.166887
C 2.790398 -2.574517 -0.050669
C 3.873130 1.654797 -0.209194
C 4.886266 0.673975 -0.217273
C -5.188192 0.328143 0.177431
H -1.604801 -1.080517 -0.816613
H -1.535976 -1.022878 0.962343
H -0.198594 1.017597 -0.948515
H -0.128768 1.073635 0.851850
H -2.831845 1.145937 -0.847003
H -2.759419 1.207713 0.940848
H 1.736865 2.044461 -0.145657
H 5.314805 -1.462524 -0.173611
H 3.681789 -3.223750 -0.086610
H 2.227132 -2.801047 0.873565
H 2.124367 -2.841885 -0.891504
H 4.132663 2.718625 -0.248453
H 5.940504 0.966876 -0.262616
H -6.010024 -1.587952 0.274783
H -7.168707 -0.252933 0.280826


