%chk=000059399.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059399

0 1
 O   -3.978100      0.6106000      0.6524000    
 N   -1.844400      0.6423000     -0.1553000    
 N   -2.415900     -0.5122000     -0.5667000    
 N   -4.641600      -1.367600     -0.2993000    
 C  -0.4672000      0.5906000      0.3015000    
 C   0.4339000     -5.3599998E-02 -0.7510000    
 C    1.886900     -9.0800002E-02 -0.3442000    
 C   -2.744700       1.304900      0.7702000    
 C    2.712500      0.9725000     -0.6745000    
 C    2.369700      -1.187100      0.3530000    
 C   -3.634100     -0.4689000     -0.1205000    
 C    4.055200      0.9384000     -0.2984000    
 C    3.712500      -1.221000      0.7293000    
 C    4.555200     -0.1582000      0.4036000    
 H  -0.3953000      2.5599999E-02   1.240300    
 H  -0.1112000       1.607500      0.5102000    
 H   0.1082000      -1.080100     -0.9665000    
 H   0.3441000      0.4864000      -1.703800    
 H   -2.423400       1.240300       1.816200    
 H   -2.891400       2.355400      0.5010000    
 H    2.331900       1.831900      -1.218900    
 H    1.720800      -2.018500      0.6132000    
 H    4.711300       1.766200     -0.5514000    
 H    4.101800      -2.074600       1.276500    
 H    5.600600     -0.1845000      0.6968000    
 H   -5.557500      -1.221600      0.1109000    
 H   -4.505500      -2.210200     -0.8470000    


%chk=000059399-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059399

0 1
O -4.079548 0.672053 0.546684
N -1.863593 0.694957 -0.186536
N -2.425648 -0.656693 -0.419176
N -4.707071 -1.454015 -0.272461
C -0.451705 0.623883 0.248565
C 0.443904 0.027367 -0.863687
C 1.896840 -0.057228 -0.424125
C -2.779875 1.335825 0.811555
C 2.818235 0.973843 -0.742522
C 2.355277 -1.154853 0.351093
C -3.688416 -0.559290 -0.065108
C 4.159583 0.912992 -0.300221
C 3.694679 -1.221052 0.796164
C 4.602465 -0.185305 0.472757
H -0.342178 0.022629 1.183411
H -0.126205 1.658283 0.472300
H 0.042396 -0.970613 -1.113676
H 0.338084 0.658613 -1.764772
H -2.489276 1.126424 1.871814
H -2.900184 2.414908 0.632722
H 2.481713 1.825127 -1.347978
H 1.657276 -1.965509 0.595954
H 4.858222 1.716377 -0.561255
H 4.032065 -2.079139 1.389096
H 5.642670 -0.236350 0.814076
H -5.586241 -1.339839 0.221686
H -4.549168 -2.259696 -0.868762


