%chk=000081968.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081968

0 1
 O   -3.243400       1.463900     -0.1851000    
 N    3.199800      0.2036000     -2.0099999E-02
 N   -2.322800     -0.6906000      7.8299999E-02
 C    1.807600     -2.1700000E-02  5.7000001E-03
 C  -0.9459000     -0.4675000      5.3900000E-02
 C   0.9251000       1.050600     -0.1246000    
 C    1.313400      -1.316800      0.1604000    
 C  -0.4516000      0.8277000     -0.1006000    
 C  -6.3400000E-02  -1.539700      0.1844000    
 C    3.749500       1.456200      0.4586000    
 C    4.099800     -0.8203000     -0.5127000    
 C   -3.354100      0.2513000     -3.6600001E-02
 C   -4.713900     -0.3965000      3.8800001E-02
 H    1.278100       2.069300     -0.2587000    
 H    1.972600      -2.172400      0.2766000    
 H   -1.071900       1.706300     -0.2100000    
 H  -0.4348000      -2.553900      0.3082000    
 H    3.644100       2.240800     -0.2980000    
 H    4.817300       1.358800      0.6846000    
 H    3.260600       1.781400       1.383800    
 H    5.073200     -0.3945000     -0.7811000    
 H    3.706700      -1.299500      -1.416500    
 H    4.274500      -1.584300      0.2521000    
 H   -2.603300      -1.662200      0.1947000    
 H   -4.834700      -1.099200     -0.7905000    
 H   -5.493000      0.3681000     -2.6500000E-02
 H   -4.819300     -0.9293000      0.9881000    


%chk=000081968-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081968

0 1
O -3.302284 1.471727 0.048029
N 3.268449 0.197649 0.003926
N -2.370274 -0.684734 0.025611
C 1.880799 -0.002292 0.008118
C -0.967886 -0.406403 0.020092
C 0.966430 1.097595 0.024491
C 1.318870 -1.318281 -0.003595
C -0.427246 0.905929 0.030760
C -0.073700 -1.507482 0.002646
C 3.811536 1.559863 0.006254
C 4.173274 -0.954869 -0.030987
C -3.437008 0.209222 0.038369
C -4.819068 -0.446312 0.039651
H 1.342117 2.124592 0.032115
H 1.966170 -2.199258 -0.017415
H -1.107284 1.759826 0.043054
H -0.468565 -2.532724 -0.006668
H 3.495504 2.135157 -0.888920
H 4.912343 1.516157 0.008326
H 3.493237 2.129693 0.903547
H 5.217079 -0.602823 -0.030579
H 4.023830 -1.573165 -0.941034
H 4.038220 -1.614033 0.851855
H -2.613882 -1.677396 0.018860
H -5.381165 -0.098265 -0.844296
H -5.374124 -0.109219 0.932240
H -4.795171 -1.550554 0.032750


