%chk=000020255.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020255

0 1
 O   -1.058100      0.7534000       1.142100    
 O   -3.696300      -1.742000      -1.762500    
 O   0.2389000      -3.487800     -0.2018000    
 N   -2.511000     -0.4978000     -0.1817000    
 N   -1.756000      -2.612100     -0.9257000    
 C   -3.409200      0.6197000     -0.3452000    
 C   -2.675600       1.811500     -0.9650000    
 C   -4.054400      0.9964000      0.9911000    
 C   -3.589900       3.026300      -1.100800    
 C   -4.967700       2.211400      0.8515000    
 C   -4.234800       3.397700      0.2314000    
 C  -0.6912000      -1.620800       1.015800    
 C   -1.404000     -0.3278000      0.6643000    
 C   0.7117000      -1.350900       1.557600    
 C   -2.737300      -1.625700     -0.9947000    
 C    1.631700     -0.7871000      0.4753000    
 C  -0.6520000      -2.647700     -9.1100000E-02
 C    3.024800     -0.4868000       1.030900    
 C    3.936100      0.1090000     -4.3600000E-02
 C    5.339800      0.3781000      0.5040000    
 C    6.258800      0.9433000     -0.5814000    
 C    7.686100       1.201700     -9.4099998E-02
 C    8.609800       1.738200      -1.176500    
 H   -4.224100      0.3504000      -1.028400    
 H   -1.801700       2.137800     -0.3977000    
 H   -2.299600       1.533500      -1.958000    
 H   -4.637500      0.1481000       1.371200    
 H   -3.311400       1.221500       1.763300    
 H   -3.018600       3.878800      -1.485600    
 H   -4.374000       2.811200      -1.837300    
 H   -5.830700       1.949100      0.2271000    
 H   -5.360800       2.493200       1.834900    
 H   -3.461400       3.750900      0.9246000    
 H   -4.934900       4.227600      8.3700001E-02
 H   -1.283100      -2.072700       1.824500    
 H    1.143600      -2.280300       1.950400    
 H   0.6632000     -0.6524000       2.402400    
 H    1.736700      -1.488000     -0.3594000    
 H    1.214500      0.1364000      5.8400001E-02
 H    2.944100      0.2140000       1.870600    
 H    3.469800      -1.410200       1.421100    
 H   -1.835200      -3.368600      -1.599800    
 H    3.502000       1.043700     -0.4189000    
 H    4.000800     -0.5819000     -0.8931000    
 H    5.767400     -0.5531000      0.8950000    
 H    5.281900       1.084600       1.340700    
 H    5.834900       1.880300     -0.9635000    
 H    6.292400      0.2440000      -1.426000    
 H    8.109200      0.2700000      0.3002000    
 H    7.661500       1.916100      0.7374000    
 H    8.689300       1.030300      -2.007600    
 H    9.613200       1.904600     -0.7726000    
 H    8.238000       2.689500      -1.570000    


%chk=000020255-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000020255

0 1
O -1.840366 0.141820 2.200626
O -2.555528 -1.314400 -2.202934
O -0.421985 -4.221995 0.696920
N -2.167209 -0.504890 -0.021513
N -1.485964 -2.711255 -0.699972
C -2.871520 0.784225 -0.375146
C -1.947368 2.015296 -0.213275
C -4.205567 0.945426 0.394549
C -2.690641 3.289111 -0.688517
C -4.931532 2.227528 -0.083192
C -4.029133 3.475822 0.065883
C -0.853951 -1.974881 1.573295
C -1.665195 -0.708685 1.286250
C 0.636128 -1.593669 1.892757
C -2.094244 -1.485968 -1.044360
C 1.392189 -0.929858 0.721753
C -0.897232 -3.070319 0.520287
C 2.862117 -0.620922 1.085217
C 3.635626 0.077756 -0.055612
C 5.111994 0.366407 0.298086
C 5.883404 1.081188 -0.834298
C 7.363087 1.360674 -0.484742
C 8.124070 2.082369 -1.618001
H -3.108598 0.672667 -1.449187
H -1.655799 2.129042 0.845713
H -1.024428 1.867380 -0.807287
H -4.843706 0.057688 0.220752
H -4.003302 1.011844 1.478107
H -2.039664 4.171857 -0.540996
H -2.892510 3.217108 -1.777365
H -5.224598 2.113577 -1.147476
H -5.866839 2.358154 0.493712
H -3.821243 3.650465 1.141176
H -4.555673 4.373284 -0.311797
H -1.268302 -2.405932 2.504522
H 1.150187 -2.524787 2.195632
H 0.617152 -0.914194 2.764594
H 1.372404 -1.591599 -0.168422
H 0.885568 0.013553 0.431393
H 2.888795 0.018716 1.991875
H 3.378341 -1.565838 1.353896
H -1.494377 -3.416270 -1.444861
H 3.127412 1.030546 -0.313150
H 3.594467 -0.553435 -0.967867
H 5.623207 -0.587972 0.543601
H 5.154232 0.986756 1.217897
H 5.377806 2.039866 -1.075102
H 5.836531 0.465511 -1.757067
H 7.868762 0.401763 -0.249743
H 7.409528 1.970794 0.440545
H 8.118496 1.479380 -2.545747
H 9.178506 2.270138 -1.343650
H 7.656167 3.057756 -1.850258


