%chk=000011149.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011149

0 1
 O    2.465100       1.400900      2.2000000E-03
 N    1.191400     -0.5825000     -3.9999999E-04
 N  -0.9797000      -2.416900      1.5000000E-03
 C  -0.1298000     -0.1264000       0.000000    
 C   -1.199700      -1.021300     -9.9999997E-05
 C  -0.3699000       1.247600     -9.9999997E-05
 C   -2.509700     -0.5423000     -3.9999999E-04
 C   -1.680000       1.726800     -1.9999999E-04
 C   -2.749800      0.8318000     -3.9999999E-04
 C    2.366500      0.1780000     -7.9999998E-04
 C    3.595700     -0.6957000     -1.2000001E-03
 H   0.3982000       2.007200     -3.0000001E-04
 H    1.315800      -1.589900     -6.9999998E-04
 H   -3.353000      -1.228300     -3.0000001E-04
 H   -1.868600       2.796500     -9.9999997E-05
 H   -3.769800       1.205000     -6.0000003E-04
 H   -1.774400      -3.043500     -3.0000001E-04
 H  -5.0000001E-02  -2.808200     -1.2000001E-03
 H    3.612600      -1.310300      0.9033000    
 H    4.493700     -7.2099999E-02 -2.4000000E-02
 H    3.591300      -1.342500     -0.8830000    


%chk=000011149-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000011149

0 1
O 2.506404 1.345393 -0.304893
N 1.196420 -0.569945 0.052501
N -0.837335 -2.382015 -0.202694
C -0.123850 -0.038352 -0.006869
C -1.180928 -1.000480 -0.094925
C -0.426283 1.343146 0.065895
C -2.523393 -0.561004 -0.023310
C -1.774234 1.763317 0.113918
C -2.822123 0.815045 0.093734
C 2.410298 0.106245 -0.056221
C 3.645617 -0.771524 0.146333
H 0.395651 2.061020 0.092726
H 1.223331 -1.565190 0.302488
H -3.333205 -1.298865 -0.083146
H -2.001134 2.832858 0.176047
H -3.866233 1.142265 0.145008
H -1.591969 -3.046696 -0.026350
H -0.230433 -2.648514 -0.982895
H 4.216687 -0.394534 1.012624
H 4.298277 -0.679823 -0.738786
H 3.414333 -1.838446 0.311715


