%chk=000040503.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040503

0 1
 O    3.315900      -1.773100      0.4111000    
 O  -0.2597000       1.854000      0.6763000    
 O   -2.874700      -2.622600     -0.6186000    
 N    2.570500       1.416700     -0.4177000    
 C    1.275800     -0.5053000      0.3952000    
 C    2.089900      0.6981000      0.7607000    
 C  -0.1115000     -0.4648000      0.2121000    
 C  -0.8036000      -1.629300     -0.1267000    
 C    1.964900      -1.708200      0.2388000    
 C    3.412200      0.5475000      -1.239700    
 C    3.309200       2.615200     -2.0500001E-02
 C  -0.8327000      0.8134000      0.3795000    
 C   -2.296700      0.8417000      0.1845000    
 C   -2.988800     -0.3229000     -0.1538000    
 C   -2.267500      -1.601000     -0.3224000    
 C  -0.1082000      -2.834400     -0.2827000    
 C    1.274400      -2.870300     -9.9600002E-02
 C    3.920700       1.279500      -2.470000    
 C    2.431400       3.560200      0.7824000    
 C   -2.992100       2.046800      0.3410000    
 C   -4.376400     -0.2826000     -0.3357000    
 C   -4.374900       2.082500      0.1590000    
 C   -5.065600      0.9203000     -0.1785000    
 C    3.787400      -2.061300       1.725300    
 H    1.562300       1.293400       1.504900    
 H    2.962400      0.3981000       1.356100    
 H    4.280100      0.1660000     -0.6898000    
 H    2.838500     -0.2886000      -1.648000    
 H    4.211800       2.369800      0.5533000    
 H    3.622600       3.191100     -0.8970000    
 H  -0.6235000      -3.754100     -0.5464000    
 H    1.806800      -3.809700     -0.2236000    
 H    4.729300       1.979800      -2.238300    
 H    4.335300      0.5556000      -3.181300    
 H    3.117700       1.817200      -2.986100    
 H    2.240600       3.211700       1.800900    
 H    2.941300       4.525700      0.8836000    
 H    1.479400       3.756900      0.2795000    
 H   -2.478900       2.968000      0.6037000    
 H   -4.938000      -1.174800     -0.5993000    
 H   -4.913800       3.017700      0.2807000    
 H   -6.142100      0.9508000     -0.3196000    
 H    3.804200      -3.145200       1.874100    
 H    3.167100      -1.597600       2.499600    
 H    4.808000      -1.679700       1.815800    


%chk=000040503-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040503

0 1
O 3.441018 -1.795075 1.204753
O -0.307876 1.841124 1.508860
O -2.724435 -2.636080 -0.445109
N 2.472333 1.533465 -0.163971
C 1.457074 -0.483741 0.911275
C 2.327785 0.752507 1.109477
C 0.057874 -0.413189 0.646320
C -0.673207 -1.598160 0.294717
C 2.071171 -1.776443 0.918747
C 3.249948 0.789347 -1.195083
C 3.047107 2.883570 0.110214
C -0.719566 0.865759 0.807155
C -2.083412 0.937926 0.187663
C -2.755931 -0.232830 -0.258952
C -2.098833 -1.567000 -0.141892
C -0.024071 -2.853776 0.308055
C 1.333339 -2.955916 0.639297
C 3.007483 1.318973 -2.621099
C 2.015764 3.891983 0.648364
C -2.730125 2.195112 0.095510
C -4.064437 -0.137329 -0.792974
C -4.025451 2.287229 -0.452482
C -4.695196 1.118094 -0.897096
C 4.134312 -3.088004 1.222411
H 1.848315 1.412942 1.846393
H 3.320363 0.440232 1.501863
H 4.346232 0.792588 -0.963730
H 2.929251 -0.267206 -1.158725
H 3.911940 2.808655 0.818592
H 3.456058 3.272494 -0.839720
H -0.614172 -3.737488 0.045853
H 1.815167 -3.937119 0.654439
H 3.347519 2.362961 -2.746115
H 3.553968 0.700826 -3.358088
H 1.929644 1.282394 -2.857284
H 1.536031 3.540378 1.576837
H 2.504755 4.863201 0.854648
H 1.214115 4.048641 -0.094218
H -2.200170 3.079544 0.461923
H -4.559513 -1.059413 -1.113467
H -4.517623 3.262509 -0.532328
H -5.704079 1.192216 -1.317068
H 4.082349 -3.585896 0.235522
H 3.718902 -3.754352 2.002027
H 5.179280 -2.843454 1.461285


