%chk=000055174.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055174

0 1
 O    2.049200      0.7759000      0.1155000    
 O   0.5462000      0.6796000      -1.629300    
 O   -5.652700      0.9844000     -0.2070000    
 N  -0.7049000      -1.472700     -0.5304000    
 N    4.397300       3.611500     -0.1021000    
 C   0.4781000     -0.9828000      0.1472000    
 C    1.500300      -2.090700      0.2571000    
 C    1.005500      0.2365000     -0.5841000    
 C   -1.941400     -0.8586000     -0.4494000    
 C    3.765500       2.420200      0.4453000    
 C    2.628300       1.955800     -0.4506000    
 C    2.472600      -2.243300     -0.7315000    
 C    1.471200      -2.960900       1.347000    
 C   -2.098000      0.2959000      0.3175000    
 C   -3.032100      -1.393700      -1.134900    
 C    3.415700      -3.266100     -0.6300000    
 C    2.414500      -3.983500       1.448400    
 C   -4.435700      0.3801000     -0.2865000    
 C   -3.345200      0.9153000      0.3991000    
 C   -4.279200     -0.7745000      -1.053400    
 C    5.755600       3.766200      0.4246000    
 C    3.600800       4.804200      0.1963000    
 C    3.386600      -4.136100      0.4600000    
 C   -5.951500       1.686500      0.9987000    
 C   -7.446700       1.650900       1.232400    
 H   0.2363000     -0.6709000       1.171800    
 H  -0.6130000      -2.262600      -1.160700    
 H    3.417400       2.564500       1.476800    
 H    4.485300       1.591400      0.4980000    
 H    3.005500       1.723300      -1.454200    
 H    1.845300       2.717400     -0.5297000    
 H    2.511800      -1.593800      -1.601200    
 H   0.7176000      -2.854100       2.122600    
 H   -1.285900      0.7629000      0.8644000    
 H   -2.924300      -2.293000      -1.736100    
 H    4.170500      -3.387700      -1.401400    
 H    2.391400      -4.661500       2.296600    
 H   -3.418300       1.827900      0.9834000    
 H   -5.125200      -1.196000      -1.589300    
 H    6.238400       4.649500     -8.2999999E-03
 H    5.765400       3.866300       1.516100    
 H    6.376500       2.906200      0.1496000    
 H    2.609400       4.754800     -0.2641000    
 H    4.082300       5.696300     -0.2210000    
 H    3.475600       4.960100       1.274200    
 H    4.120200      -4.933100      0.5383000    
 H   -5.616000       2.725000      0.9030000    
 H   -5.471500       1.223800       1.870200    
 H   -7.713500       2.190400       2.145500    
 H   -7.799600      0.6176000       1.316500    
 H   -7.979600       2.100900      0.3883000    


%chk=000055174-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055174

0 1
O 1.923603 0.644506 0.233986
O 1.293848 -0.065855 -1.896842
O -5.370670 1.034066 0.227018
N -0.544187 -1.873935 -0.391095
N 3.722445 3.933467 0.338948
C 0.767475 -1.475679 0.103116
C 1.752753 -2.643669 -0.012207
C 1.333139 -0.246258 -0.661314
C -1.706054 -1.098621 -0.226637
C 3.026943 2.716437 0.815650
C 2.582479 1.845623 -0.365216
C 2.210662 -3.074883 -1.284292
C 2.185776 -3.326497 1.149840
C -1.712526 0.121995 0.500447
C -2.937623 -1.558065 -0.781714
C 3.083088 -4.181206 -1.387146
C 3.062834 -4.429439 1.046151
C -4.121334 0.385688 0.119651
C -2.910016 0.855759 0.676342
C -4.123425 -0.827659 -0.614049
C 4.643436 4.495654 1.347905
C 2.804027 4.959391 -0.198197
C 3.511486 -4.861416 -0.223476
C -5.411112 2.300744 0.974981
C -6.857548 2.789123 0.943121
H 0.693816 -1.177266 1.166121
H -0.570461 -2.646891 -1.055190
H 2.141508 2.949193 1.459133
H 3.730197 2.128244 1.432405
H 3.446886 1.519397 -0.968439
H 1.855948 2.345241 -1.029455
H 1.901938 -2.530873 -2.184907
H 1.831866 -2.997943 2.134136
H -0.788664 0.519453 0.933120
H -2.958556 -2.498199 -1.346829
H 3.434347 -4.506794 -2.372632
H 3.392735 -4.950718 1.951595
H -2.873504 1.790870 1.243536
H -5.066981 -1.180275 -1.042163
H 5.203187 5.339138 0.905469
H 4.124968 4.872581 2.266001
H 5.374423 3.727797 1.656679
H 2.197423 4.546193 -1.021913
H 3.391708 5.800076 -0.607415
H 2.105360 5.368457 0.575816
H 4.191167 -5.717036 -0.304510
H -4.728652 3.036468 0.499063
H -5.068995 2.129600 2.017738
H -6.951073 3.743417 1.493065
H -7.527630 2.047391 1.410508
H -7.190461 2.948909 -0.096703


