%chk=000055886.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055886

0 1
 O   0.2751000      -1.609800      0.2615000    
 O  -0.1633000      0.4092000      -1.637200    
 O   -2.078300      0.1869000     -0.2767000    
 O    1.200900       2.854900      -1.169300    
 O    4.201300     -0.2023000     -0.6165000    
 O  -0.1895000      -2.570500      -1.850800    
 O   -1.909700      -3.835200     -0.2849000    
 N    2.960300      -1.926300       1.269600    
 N    3.988900       2.620400     -0.3193000    
 C    1.348200     -0.7688000     -0.1823000    
 C   0.7599000      0.5937000     -0.5539000    
 C    2.391800     -0.6177000      0.9339000    
 C    1.842800       1.592500     -0.9751000    
 C    2.917100       1.722100      0.1216000    
 C    3.509200      0.3525000      0.5065000    
 C  -0.6975000      -1.800400     -0.7687000    
 C   -1.252900     -0.4516000      -1.259100    
 C   -3.208200     -0.6090000      8.8200003E-02
 C   -1.804000      -2.620000     -0.1243000    
 C   -2.733600      -1.869500      0.7984000    
 C   -4.090100      0.2306000       1.001500    
 C    3.942800      -1.798800       2.332500    
 C    4.967600       2.806200      0.7385000    
 C   -4.604300       1.479500      0.2876000    
 C   -5.516400       2.302300       1.197300    
 C   -6.058100       3.529000      0.4809000    
 H    1.806100      -1.236900      -1.064700    
 H   0.1980000       1.016000      0.2908000    
 H    1.882100     -0.2277000       1.825900    
 H    2.273800       1.292700      -1.938600    
 H    2.437900       2.168100       1.005000    
 H    4.220500      0.4836000       1.325200    
 H   -1.850600     -0.5943000      -2.167500    
 H    3.383300      -2.360400      0.4510000    
 H   -3.766800     -0.8707000     -0.8205000    
 H    3.586300       3.526900     -0.5549000    
 H   -3.580400      -2.511700       1.061300    
 H   -2.172800      -1.633000       1.709500    
 H    1.850100       3.454600      -1.573600    
 H    4.687300     -0.9849000     -0.3083000    
 H   -3.519700      0.5427000       1.885800    
 H   -4.938900     -0.3691000       1.351500    
 H  -4.9100000E-02  -3.478400      -1.532700    
 H    4.904900      -1.413400       1.982700    
 H    4.143300      -2.796300       2.738600    
 H    3.579900      -1.188200       3.166400    
 H    5.599900       3.663900      0.4828000    
 H    5.648500       1.955100      0.8315000    
 H    4.507800       3.027200       1.707700    
 H   -3.764200       2.104300     -3.8400002E-02
 H   -5.156300       1.185700     -0.6137000    
 H   -4.964100       2.620100       2.089400    
 H   -6.357000       1.686700       1.538200    
 H   -6.644500       3.243100     -0.3982000    
 H   -5.243900       4.183300      0.1533000    
 H   -6.706900       4.102900       1.150000    


%chk=000055886-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055886

0 1
O 0.372388 -1.618440 0.256641
O -0.095478 0.506073 -1.640454
O -2.005231 0.213730 -0.320481
O 1.387237 2.972048 -1.214702
O 4.354912 -0.187991 -0.540475
O -0.067185 -2.496237 -1.951183
O -1.833194 -3.863048 -0.465716
N 3.106967 -1.923836 1.162772
N 4.023784 2.747957 -0.321371
C 1.463496 -0.692635 -0.170506
C 0.864771 0.667602 -0.506212
C 2.482178 -0.591964 0.971353
C 1.951993 1.636479 -0.970426
C 3.010866 1.794505 0.139670
C 3.600298 0.421824 0.550872
C -0.613614 -1.801113 -0.827305
C -1.149371 -0.413699 -1.339448
C -3.155553 -0.619464 0.089170
C -1.726685 -2.648359 -0.152258
C -2.629464 -1.907079 0.796275
C -4.027198 0.246395 1.007998
C 3.795347 -2.123791 2.457092
C 5.078213 3.111315 0.632323
C -4.650553 1.462152 0.288456
C -5.478343 2.355112 1.239972
C -6.116306 3.562558 0.520084
H 1.943840 -1.119950 -1.071490
H 0.310669 1.085490 0.355395
H 1.969227 -0.221964 1.890478
H 2.440509 1.245997 -1.885289
H 2.468611 2.166117 1.056658
H 4.264748 0.581582 1.428737
H -1.701115 -0.568944 -2.286300
H 2.420285 -2.666753 0.974080
H -3.731510 -0.908082 -0.820194
H 3.567244 3.553395 -0.765823
H -3.458392 -2.558901 1.119379
H -2.042569 -1.587292 1.678315
H 0.671190 2.878018 -1.893231
H 4.345294 -1.166930 -0.300721
H -3.400154 0.591300 1.854336
H -4.828330 -0.391158 1.433573
H -0.232196 -3.471673 -1.804508
H 4.666730 -1.450016 2.533241
H 4.172420 -3.159334 2.512633
H 3.141120 -1.938405 3.339602
H 5.672783 3.941308 0.212153
H 5.768249 2.261279 0.785304
H 4.700603 3.433502 1.636574
H -3.841463 2.057803 -0.174911
H -5.301152 1.108765 -0.539146
H -4.823925 2.717017 2.059128
H -6.272723 1.747451 1.720572
H -6.806857 3.230650 -0.278068
H -5.341867 4.197514 0.050609
H -6.691043 4.193919 1.222174


