%chk=000139041.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139041

0 1
 O   0.6475000       2.853600      1.9999999E-04
 N   -1.947300       2.174900       0.000000    
 N   -2.721700       2.926300       0.000000    
 C  -0.2956000      -1.145300      9.9999997E-05
 C    1.087900     -0.7461000      9.9999997E-05
 C   -1.304100     -0.1465000       0.000000    
 C    1.409900      0.6362000       0.000000    
 C  -0.9478000       1.204500       0.000000    
 C   0.3887000       1.590000      9.9999997E-05
 C  -0.7349000      -2.493100      1.9999999E-04
 C    2.177100      -1.653200      1.9999999E-04
 C   -2.663500     -0.5031000     -1.9999999E-04
 C    2.750400       1.058200     -1.9999999E-04
 C   -2.090100      -2.833900      9.9999997E-05
 C    3.505800      -1.220200       0.000000    
 C   -3.054600      -1.838400     -3.0000001E-04
 C    3.792500      0.1361000     -3.0000001E-04
 H  -2.4200000E-02  -3.315600      3.9999999E-04
 H    2.013300      -2.727800      3.0000001E-04
 H   -3.456100      0.2411000     -3.9999999E-04
 H    3.037000       2.107900     -3.0000001E-04
 H   -2.385900      -3.879000      1.9999999E-04
 H    4.312400      -1.947500       0.000000    
 H   -4.108700      -2.098600     -5.0000002E-04
 H    4.823500      0.4767000     -3.9999999E-04


%chk=000139041-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000139041

0 1
O 0.695139 2.986733 -0.000071
N -1.922071 2.210463 -0.000116
N -2.600380 3.173745 -0.000249
C -0.334414 -1.151018 0.000000
C 1.085682 -0.725864 0.000001
C -1.375977 -0.165300 -0.000048
C 1.434401 0.665271 -0.000032
C -0.992397 1.248848 -0.000079
C 0.407003 1.744232 -0.000050
C -0.717461 -2.521938 0.000052
C 2.153630 -1.669279 0.000029
C -2.740965 -0.566830 -0.000064
C 2.795820 1.072831 -0.000049
C -2.067703 -2.912658 0.000048
C 3.498160 -1.257809 0.000011
C -3.087759 -1.927550 -0.000027
C 3.828202 0.122565 -0.000035
H 0.049912 -3.301079 0.000097
H 1.938335 -2.741255 0.000051
H -3.531655 0.192612 -0.000111
H 2.998086 2.148655 -0.000076
H -2.329756 -3.975713 0.000087
H 4.294209 -2.010731 0.000026
H -4.142203 -2.223388 -0.000039
H 4.875660 0.441658 -0.000056


