%chk=000021215.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021215

0 1
 O   -2.430600     -0.9447000       1.687500    
 N    1.442500      -1.276400      0.2087000    
 N   -4.189400      0.2489000     -0.2557000    
 C  -0.4897000     -0.2252000      0.5065000    
 C   0.5132000      0.7514000      0.2511000    
 C   -1.921500      3.2099999E-02  0.7621000    
 C    1.715900      6.5600000E-02  6.7800000E-02
 C   0.1123000      -1.462000      0.4738000    
 C    2.408800      -2.347800      9.4400004E-02
 C   -2.777500     -1.3200000E-02 -0.5259000    
 C   0.5133000       2.157400      0.1580000    
 C    2.923500      0.7181000     -0.2049000    
 C    1.713800       2.823500     -0.1144000    
 C    2.899100       2.112900     -0.2926000    
 C    2.530400      -2.862900      -1.329400    
 C   -4.964100      0.2222000      -1.487000    
 H   -2.043900       1.006400       1.249700    
 H  -0.2926000      -2.456000      0.6120000    
 H    3.374500      -1.990600      0.4660000    
 H    2.088200      -3.156500      0.7614000    
 H   -2.683500      -1.006900     -0.9835000    
 H   -2.386900      0.7205000      -1.242500    
 H  -0.4017000       2.727000      0.2928000    
 H    3.851100      0.1748000     -0.3491000    
 H    1.719800       3.907800     -0.1879000    
 H    3.819900       2.650600     -0.5043000    
 H    1.570600      -3.241700      -1.696300    
 H    3.259400      -3.677700      -1.377200    
 H    2.858800      -2.070800      -2.010500    
 H   -4.286800       1.162500      0.1863000    
 H   -2.547900      -1.783500       1.209500    
 H   -4.905900     -0.7576000      -1.972100    
 H   -4.628900      0.9911000      -2.190800    
 H   -6.017400      0.4128000      -1.258700    


%chk=000021215-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021215

0 1
O -2.554862 -1.265864 1.287918
N 1.524285 -1.350972 0.262639
N -4.183927 0.278233 -0.230237
C -0.485105 -0.274301 0.507357
C 0.529160 0.718982 0.205989
C -1.950162 -0.042270 0.753000
C 1.778008 0.011779 0.048198
C 0.154102 -1.510839 0.530862
C 2.509753 -2.436667 0.156277
C -2.731717 0.335394 -0.540545
C 0.519683 2.133014 0.065585
C 2.987326 0.677897 -0.253381
C 1.724281 2.800961 -0.229570
C 2.945217 2.080647 -0.389860
C 2.749170 -2.898930 -1.298543
C -5.082847 0.129980 -1.395386
H -2.076125 0.788708 1.489168
H -0.278067 -2.483388 0.753182
H 3.459538 -2.093925 0.608402
H 2.148847 -3.282390 0.768563
H -2.521720 -0.430329 -1.309531
H -2.390637 1.317890 -0.936109
H -0.408726 2.702622 0.191050
H 3.930313 0.133844 -0.377025
H 1.730025 3.891495 -0.337531
H 3.866085 2.627779 -0.621420
H 1.814286 -3.277894 -1.747143
H 3.501185 -3.708805 -1.324867
H 3.115077 -2.065529 -1.923312
H -4.470026 1.061260 0.374612
H -3.522234 -1.173243 1.021079
H -4.856788 -0.820484 -1.910693
H -4.995594 0.951379 -2.143107
H -6.131005 0.086067 -1.050824


