%chk=000041468.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041468

0 1
 O    3.461600     -6.2399998E-02  0.7538000    
 O   -3.215700      -1.116500     -0.1188000    
 N    1.489400      0.2781000      0.1712000    
 N   -1.376300     -0.1586000      0.1255000    
 N    2.755100      0.4113000     -0.1414000    
 N   -2.586800     -0.3394000      0.6063000    
 C   0.9547000      -1.081100      1.1400000E-02
 C  -0.8365000       1.216800      0.2284000    
 C   0.5958000       1.310400     -0.3577000    
 C  -0.4330000      -1.146500      0.6747000    
 C   0.8933000      -1.570300      -1.446600    
 C   -1.701500       2.258200     -0.5067000    
 H    1.588500      -1.790500      0.5632000    
 H  -0.7871000       1.504400       1.289300    
 H   0.5586000       1.260500      -1.455000    
 H   0.9965000       2.302900     -0.1066000    
 H  -0.8235000      -2.166100      0.5429000    
 H  -0.3187000     -0.9973000       1.759200    
 H   0.2375000     -0.9541000      -2.069700    
 H    1.887700      -1.577100      -1.905500    
 H   0.5118000      -2.596800      -1.484800    
 H   -1.813000       2.005200      -1.567100    
 H   -2.702100       2.327900     -6.7199998E-02
 H   -1.248500       3.253700     -0.4422000    


%chk=000041468-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041468

0 1
O 3.455986 -0.300840 0.812130
O -2.887643 -1.531173 -0.333214
N 1.454771 0.277511 -0.056397
N -1.290145 -0.048583 0.239334
N 2.715663 0.662429 0.391113
N -2.537429 -0.292406 -0.320856
C 0.945231 -1.121192 -0.016472
C -0.776458 1.345339 0.254233
C 0.575834 1.358775 -0.519671
C -0.400675 -1.110140 0.760171
C 0.818334 -1.721956 -1.432829
C -1.766715 2.361630 -0.330744
H 1.698417 -1.688322 0.562679
H -0.564595 1.599786 1.314185
H 0.366366 1.248168 -1.601372
H 1.109069 2.309969 -0.355195
H -0.934832 -2.068782 0.640431
H -0.214612 -0.927928 1.835306
H 0.043642 -1.209815 -2.031202
H 1.780847 -1.654386 -1.967563
H 0.535793 -2.786780 -1.360261
H -2.000237 2.139407 -1.385272
H -2.716601 2.360909 0.226990
H -1.322211 3.371079 -0.268924


