%chk=000099756.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099756

0 1
 O    5.830600       1.770100     -0.3593000    
 N   -4.085100      0.6031000     -4.9699999E-02
 N    2.251600     -0.4602000      0.2346000    
 C   -2.753800      0.1383000     -1.4700000E-02
 C  -0.1382000     -0.7750000      5.7000000E-02
 C    4.664500     -0.1522000      0.4663000    
 C    3.540000      -1.154500      0.2467000    
 C   -2.488100      -1.226400     -0.1283000    
 C   -1.703100       1.043200      0.1349000    
 C   -1.171700      -1.686000     -9.2100002E-02
 C  -0.3865000      0.5836000      0.1710000    
 C    4.746500      0.8941000     -0.6384000    
 C    1.251700      -1.260400      9.6299998E-02
 C   -5.092800     -0.1129000     -0.8061000    
 C   -4.465500       1.795200      0.6818000    
 H    5.620300     -0.6860000      0.5357000    
 H    4.533900      0.3547000       1.430900    
 H    3.699400      -1.681000     -0.7026000    
 H    3.565700      -1.894200       1.056500    
 H   -3.283800      -1.958400     -0.2335000    
 H   -1.875300       2.112800      0.2142000    
 H  -0.9772000      -2.751300     -0.1786000    
 H   0.4131000       1.309600      0.2858000    
 H    4.912900      0.4327000      -1.616900    
 H    3.835300       1.497100     -0.6898000    
 H    1.396600      -2.352400     -6.9999998E-04
 H   -5.957800      0.5265000      -1.015200    
 H   -5.453500     -0.9822000     -0.2463000    
 H   -4.706000     -0.4455000      -1.776100    
 H   -4.176300       2.696800      0.1318000    
 H   -4.006600       1.818900       1.676800    
 H   -5.549800       1.836400      0.8342000    
 H    6.644100       1.237500     -0.3510000    


%chk=000099756-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099756

0 1
O 5.649680 1.667275 1.190306
N -4.119749 0.614430 0.036762
N 2.324217 -0.495023 -0.598177
C -2.802974 0.158948 -0.061982
C -0.083706 -0.769709 -0.260530
C 4.606056 -0.462929 0.389653
C 3.664359 -1.109934 -0.656149
C -2.479866 -1.226154 0.112870
C -1.723781 1.065134 -0.342187
C -1.150189 -1.667770 0.014009
C -0.404052 0.606434 -0.436907
C 4.781833 1.050746 0.170743
C 1.295383 -1.266685 -0.352775
C -5.204318 -0.330443 0.331721
C -4.423860 2.040335 -0.143647
H 5.595254 -0.965260 0.326774
H 4.209569 -0.635491 1.407656
H 4.079043 -0.925130 -1.669217
H 3.642872 -2.215726 -0.497121
H -3.266491 -1.954962 0.326170
H -1.924766 2.130806 -0.483392
H -0.931017 -2.734752 0.153361
H 0.414927 1.301862 -0.649813
H 5.174346 1.244527 -0.852171
H 3.813703 1.563196 0.270754
H 1.416918 -2.365621 -0.197599
H -6.161545 0.212103 0.376197
H -5.054799 -0.837337 1.306876
H -5.292679 -1.113208 -0.449213
H -4.129415 2.399974 -1.150393
H -3.906758 2.670156 0.608495
H -5.507669 2.200361 -0.031596
H 6.534577 1.221846 1.165725


