%chk=000170017.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170017

0 1
 O    5.416900     -1.9999999E-04   1.195800    
 N  -0.4665000       0.000000     -0.6463000    
 N   -1.030500       0.000000      0.4731000    
 N    5.055900     -9.9999997E-05  9.4999997E-03
 C   0.9292000     -9.9999997E-05 -0.4811000    
 C   -2.419300      1.9999999E-04  0.3092000    
 C    1.614700      -1.207900     -0.3999000    
 C    1.614800       1.208000     -0.3993000    
 C    3.692600      9.9999997E-05 -0.1526000    
 C    2.999900      -1.207900     -0.2351000    
 C    3.000000       1.208100     -0.2346000    
 C   -3.111800      -1.207900      0.2275000    
 C   -3.112000       1.208200      0.2270000    
 C   -4.496900      -1.208000      6.3199997E-02
 C   -4.497200       1.207900      6.2799998E-02
 C   -5.189600     -3.0000001E-04 -1.9099999E-02
 H    1.082900      -2.153500     -0.4641000    
 H    1.082800       2.153600     -0.4630000    
 H    3.523300      -2.159500     -0.1733000    
 H    3.523400       2.159600     -0.1725000    
 H   -2.581100      -2.154400      0.2913000    
 H   -2.581500       2.154700      0.2903000    
 H   -5.036200      -2.148700     -5.0000002E-04
 H   -5.036700       2.148300     -1.3000000E-03
 H   -6.268100     -3.9999999E-04 -0.1470000    


%chk=000170017-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170017

0 1
O 5.798677 0.024724 1.031885
N -0.401187 -0.004084 -0.639202
N -1.134186 0.005420 0.448802
N 5.267827 0.011527 -0.140992
C 1.009048 0.001481 -0.392803
C -2.543861 -0.001391 0.219992
C 1.820641 -0.011856 -1.560208
C 1.609386 0.019303 0.907001
C 3.809917 0.008976 -0.147883
C 3.220725 -0.008112 -1.438864
C 3.001873 0.022818 1.027859
C -3.341740 0.010599 1.396424
C -3.162693 -0.019858 -1.064717
C -4.747779 0.004820 1.295711
C -4.565500 -0.025756 -1.154823
C -5.361872 -0.013432 0.020853
H 1.325228 -0.025064 -2.535618
H 0.953170 0.029972 1.782089
H 3.879922 -0.017590 -2.313165
H 3.500798 0.035962 2.003258
H -2.834608 0.024641 2.366695
H -2.528331 -0.029207 -1.956045
H -5.362457 0.014193 2.201770
H -5.049507 -0.040043 -2.137527
H -6.454488 -0.018244 -0.060493


