%chk=000148215.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148215

0 1
 O    1.537000      -2.491400     -0.5484000    
 O   -1.131100      0.6466000      -1.170000    
 O    2.375000       2.031100     -0.3098000    
 N   0.5344000       1.213500      0.7896000    
 N    1.891100     -0.2136000     -0.4832000    
 N   -2.722600     -7.4500002E-02  0.3695000    
 N   -3.766600     -5.0000002E-04 -0.5299000    
 C  -0.4114000      0.1461000       1.018200    
 C   0.2445000      -1.220600       1.023000    
 C    1.257300      -1.385400     -8.8000000E-02
 C   -1.454300      0.2687000     -4.9600001E-02
 C    1.646500       1.080100     -2.1500001E-02
 H  -0.8714000      0.3392000       1.994400    
 H  -0.5031000      -2.017100      0.9380000    
 H   0.7897000      -1.366100       1.963700    
 H   0.3168000       2.136800       1.152400    
 H    2.642400     -0.3150000      -1.160200    
 H   -2.923500     -0.3891000       1.313500    
 H   -4.185800     -0.9285000     -0.5732000    
 H   -4.471700      0.6073000     -0.1149000    


%chk=000148215-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148215

0 1
O 1.453929 -2.514511 -0.646142
O -1.360713 0.594308 -1.126950
O 2.330906 2.059405 -0.434145
N 0.605492 1.208258 0.893642
N 1.838207 -0.223549 -0.539290
N -2.799313 -0.113183 0.561568
N -3.962747 -0.169727 -0.251769
C -0.404921 0.171182 1.124898
C 0.273879 -1.223461 1.081567
C 1.210772 -1.399295 -0.115794
C -1.551638 0.252701 0.073261
C 1.619541 1.093898 -0.050975
H -0.829690 0.320755 2.135934
H -0.471610 -2.033628 1.046833
H 0.879314 -1.360301 1.997975
H 0.405547 2.169767 1.173624
H 2.517198 -0.296085 -1.303198
H -2.946458 -0.347240 1.545340
H -3.852271 -0.876146 -0.992873
H -4.162223 0.754452 -0.659905


