%chk=000088671.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088671

0 1
 O    2.221800      0.4594000      -1.284800    
 N   0.1131000       1.234100      0.3007000    
 N    1.215300      0.6054000      0.8028000    
 C   -1.077200      0.5137000      0.1418000    
 C    3.367100     -0.4362000      0.6486000    
 C    2.225500      0.2539000     -7.3700003E-02
 C   -2.286300       1.184200     -7.8699999E-02
 C   -1.071000     -0.8850000      0.2022000    
 C    4.477500     -0.8666000     -0.2925000    
 C   -3.471900      0.4665000     -0.2362000    
 C   -2.256800      -1.602600      4.4399999E-02
 C   -3.457100     -0.9267000     -0.1747000    
 H    3.768400      0.2527000       1.400600    
 H    2.968600      -1.313300       1.171200    
 H   0.1010000       2.245600      0.3223000    
 H    1.231400      0.4483000       1.804700    
 H   -2.312700       2.270100     -0.1291000    
 H  -0.1581000      -1.451300      0.3657000    
 H    5.279200      -1.361100      0.2645000    
 H    4.905400     -5.2000000E-03 -0.8159000    
 H    4.103500      -1.566000      -1.047600    
 H   -4.406600      0.9925000     -0.4070000    
 H   -2.245800      -2.687600      9.0800002E-02
 H   -4.380200      -1.485500     -0.2978000    


%chk=000088671-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088671

0 1
O 2.165263 1.088716 -0.949470
N 0.028875 1.162568 0.856279
N 1.240260 0.495386 1.098150
C -1.093506 0.427655 0.376909
C 3.571327 -0.169765 0.644752
C 2.285715 0.512114 0.169556
C -2.219384 1.151534 -0.101738
C -1.143132 -0.989029 0.428683
C 4.198257 -1.027734 -0.477064
C -3.372977 0.462182 -0.525100
C -2.307603 -1.666154 0.004591
C -3.429741 -0.951623 -0.472879
H 4.284187 0.626674 0.936319
H 3.382806 -0.781928 1.548086
H 0.168964 2.089642 0.441084
H 1.385660 0.146245 2.048178
H -2.187073 2.247459 -0.141134
H -0.272768 -1.552715 0.778895
H 5.181883 -1.419945 -0.164281
H 4.330931 -0.416534 -1.385333
H 3.549355 -1.882922 -0.736173
H -4.231665 1.032099 -0.897903
H -2.332948 -2.761355 0.043665
H -4.328583 -1.483270 -0.801771


