%chk=000089002.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089002

0 1
 O  -0.7610000      -1.472500       2.523500    
 O    2.786800       2.934500      0.3570000    
 N   -1.680000     -0.5399000     -0.9671000    
 N    2.881300      -2.497600     -0.6655000    
 C   -3.985700      8.9400001E-02  5.9599999E-02
 C   -3.246400       1.347900     -0.4492000    
 C   -1.806600      -1.122200      0.3962000    
 C   -3.101800     -0.6408000       1.087400    
 C   -1.831600      0.9343000     -0.9129000    
 C   -4.152000     -0.8512000      -1.149300    
 C   -2.777900      -1.086900      -1.801000    
 C   -3.194600       2.474000      0.5811000    
 C  -0.5707000     -0.8605000       1.259700    
 C   0.6558000      -1.399900      0.5819000    
 C   -2.553900       3.721800      4.8000002E-03
 C    1.728600     -0.5771000      0.2235000    
 C   0.6930000      -2.759600      0.3203000    
 C    2.838500      -1.176800     -0.4080000    
 C    1.717700      0.8048000      0.4775000    
 C    1.821300      -3.255000     -0.3015000    
 C    3.908300     -0.3607000     -0.7657000    
 C    2.801100       1.597200      0.1091000    
 C    3.897600       1.013400     -0.5133000    
 C    3.932300       3.683200     -4.8099998E-02
 H   -4.960800      0.3415000      0.4897000    
 H   -3.798300       1.724000      -1.322900    
 H   -1.921600      -2.210300      0.2888000    
 H   -2.903200      2.5200000E-02   1.932600    
 H   -3.644800      -1.505300       1.490000    
 H   -1.643500       1.347700      -1.912600    
 H   -1.052500       1.365300     -0.2815000    
 H   -4.841000     -0.4140000      -1.881400    
 H   -4.584600      -1.805300     -0.8248000    
 H   -2.622200      -2.160200      -1.966600    
 H   -2.748800     -0.6301000      -2.798400    
 H   -2.635500       2.174100       1.473800    
 H   -4.212800       2.716000      0.9082000    
 H  -0.5157000      0.2012000       1.485400    
 H   -1.496900       3.575300     -0.2345000    
 H   -3.070300       4.048300     -0.9037000    
 H   -2.611800       4.538900      0.7316000    
 H   -1.376300     -0.9299000       3.043900    
 H  -0.1060000      -3.436800      0.5991000    
 H   0.9043000       1.323300      0.9687000    
 H    1.912300      -4.312100     -0.5287000    
 H    4.778700     -0.7949000      -1.254400    
 H    4.777300       1.563700     -0.8292000    
 H    4.066300       3.656400      -1.134900    
 H    4.832000       3.363600      0.4886000    
 H    3.749800       4.727300      0.2263000    


%chk=000089002-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089002

0 1
O -0.944073 -1.828117 2.519606
O 2.747342 2.806120 -0.186895
N -1.465151 -0.136704 -0.862583
N 3.085523 -2.816898 -0.265343
C -3.948372 0.102106 -0.142397
C -3.332496 1.518832 -0.354240
C -1.728824 -1.012671 0.323261
C -3.132682 -0.669445 0.937816
C -1.789206 1.295817 -0.560937
C -3.853310 -0.669302 -1.490209
C -2.356375 -0.602259 -1.973128
C -3.651704 2.522104 0.778570
C -0.570838 -0.975712 1.367137
C 0.721243 -1.556143 0.810359
C -3.145382 3.952172 0.482750
C 1.796248 -0.741991 0.292334
C 0.876654 -2.945909 0.782509
C 2.962786 -1.432889 -0.237183
C 1.789336 0.684232 0.278613
C 2.061639 -3.530665 0.239704
C 4.051555 -0.665783 -0.755522
C 2.875268 1.405898 -0.231413
C 4.023326 0.729059 -0.758090
C 3.853920 3.611757 -0.707387
H -5.003744 0.192628 0.176771
H -3.766752 1.930538 -1.290557
H -1.751900 -2.051327 -0.060282
H -3.035304 -0.032212 1.842241
H -3.665685 -1.590530 1.237753
H -1.396130 1.913962 -1.387136
H -1.241661 1.596184 0.352173
H -4.529526 -0.213521 -2.237987
H -4.178349 -1.718396 -1.349849
H -2.000513 -1.589685 -2.317195
H -2.238902 0.104801 -2.814355
H -3.204820 2.167844 1.730908
H -4.748898 2.550219 0.941057
H -0.416942 0.065080 1.718750
H -2.048476 3.973634 0.346071
H -3.605608 4.351027 -0.441135
H -3.392751 4.643730 1.308757
H -1.771497 -1.464035 2.925861
H 0.098157 -3.585612 1.207272
H 0.936695 1.252997 0.656238
H 2.175655 -4.621275 0.220328
H 4.909988 -1.220205 -1.146831
H 4.872753 1.290301 -1.158532
H 4.025775 3.417555 -1.784044
H 4.789335 3.429615 -0.143277
H 3.536874 4.655775 -0.567233


