%chk=000049666.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049666

0 1
 O   -1.137900     -0.1320000     -0.5385000    
 O    1.843300      -3.804400      -1.044900    
 O   -3.900500      -2.480700       1.310400    
 N    2.224800     -0.4355000     -0.5224000    
 C  -0.8856000      -1.462000     -0.3362000    
 C   0.3391000      -1.954700     -0.7879000    
 C   -1.791500      -2.312600      0.2889000    
 C   -3.313000     -0.3125000      0.5224000    
 C    1.319500      -1.046800      -1.459700    
 C   -2.345800      0.3869000     -0.1050000    
 C   -3.074100      -1.766100      0.7570000    
 C   0.6530000      -3.302100     -0.6112000    
 C   -4.620800      0.2223000       1.030500    
 C   -1.481200      -3.663500      0.4673000    
 C  -0.2560000      -4.155100      1.5300000E-02
 C   -2.466800       1.821100     -0.4030000    
 C    3.184000      0.4413000      -1.194200    
 C   -4.508000      0.7067000       2.462200    
 C    4.154900       1.056500     -0.2282000    
 C   -2.022900       2.766000      0.5226000    
 C   -3.025400       2.238300      -1.611400    
 C   -2.137900       4.127100      0.2401000    
 C   -3.140300       3.599400      -1.893800    
 C    3.851800       2.274400      0.3693000    
 C    5.347100      0.4020000      5.9300002E-02
 C   -2.696500       4.543700     -0.9681000    
 C    2.932800      -3.773300     -0.1254000    
 C    4.753600       2.846000       1.266800    
 C    6.248700      0.9738000      0.9569000    
 C    5.951900       2.195800       1.560800    
 H    1.878000      -1.613000      -2.216700    
 H   0.7819000     -0.2816000      -2.035400    
 H   -4.969500       1.050100      0.4020000    
 H   -5.407900     -0.5375000      0.9563000    
 H   -2.175400      -4.343500      0.9530000    
 H  -1.6300000E-02  -5.205900      0.1546000    
 H    1.695800      0.1106000      0.1582000    
 H    2.658100       1.238800      -1.735700    
 H    3.745500     -0.1222000      -1.951000    
 H   -5.475100       1.087200       2.807000    
 H   -3.778300       1.515200       2.564700    
 H   -4.210500     -0.1047000       3.135300    
 H   -1.581700       2.456900       1.467100    
 H   -3.375500       1.514100      -2.343000    
 H   -1.791600       4.862400      0.9604000    
 H   -3.575200       3.924100      -2.834600    
 H    2.920200       2.788700      0.1494000    
 H    5.587600     -0.5513000     -0.4032000    
 H   -2.785800       5.603500      -1.188200    
 H    2.984800      -4.732200      0.3987000    
 H    2.839500      -2.966100      0.6081000    
 H    3.857800      -3.631400     -0.6910000    
 H    4.522300       3.797100       1.737500    
 H    7.181600      0.4672000       1.186500    
 H    6.653900       2.640600       2.260000    


%chk=000049666-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049666

0 1
O -1.139525 -0.218832 -0.390600
O 1.703507 -4.067223 -1.203690
O -4.021576 -2.571949 1.466766
N 2.157170 -0.436354 -0.647744
C -0.919998 -1.601723 -0.266448
C 0.295487 -2.085979 -0.814800
C -1.872748 -2.428640 0.376071
C -3.304096 -0.384866 0.740047
C 1.233528 -1.160391 -1.565790
C -2.321725 0.370538 0.120003
C -3.126206 -1.849186 0.907728
C 0.543827 -3.474903 -0.667626
C -4.623605 0.178333 1.234207
C -1.596687 -3.818681 0.466813
C -0.401374 -4.338107 -0.045396
C -2.301166 1.828012 -0.159173
C 3.029583 0.534345 -1.353944
C -4.688767 0.307128 2.780233
C 3.994249 1.234320 -0.404230
C -2.794891 2.778868 0.775090
C -1.742329 2.297205 -1.381526
C -2.750355 4.158671 0.484000
C -1.703953 3.676246 -1.671073
C 4.276097 2.614579 -0.557421
C 4.647621 0.513559 0.628550
C -2.210783 4.613895 -0.740801
C 2.976512 -3.722396 -0.518109
C 5.200347 3.262447 0.294209
C 5.567544 1.159216 1.483759
C 5.850240 2.535873 1.317999
H 1.844019 -1.761946 -2.264735
H 0.625118 -0.453651 -2.177649
H -4.841881 1.147825 0.754601
H -5.413271 -0.533917 0.929671
H -2.343646 -4.453686 0.953113
H -0.163674 -5.403983 0.015340
H 1.628636 0.027574 0.106275
H 2.446417 1.302645 -1.919425
H 3.601959 -0.038755 -2.113820
H -5.668692 0.713271 3.090465
H -3.899578 0.974284 3.174674
H -4.564304 -0.684736 3.245468
H -3.182386 2.444343 1.741171
H -1.349930 1.572331 -2.101442
H -3.127926 4.878207 1.218563
H -1.281655 4.020234 -2.621602
H 3.768681 3.186238 -1.344698
H 4.414791 -0.549108 0.756681
H -2.179182 5.685793 -0.964811
H 3.020744 -4.240613 0.459210
H 3.064438 -2.628884 -0.370155
H 3.773693 -4.098615 -1.177284
H 5.407323 4.330676 0.163103
H 6.064482 0.591041 2.278599
H 6.564395 3.036524 1.981485


