%chk=000057173.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057173

0 1
 O  -0.6791000      0.1141000     -0.1816000    
 O   0.9209000      -1.760000      -1.691200    
 O   0.7992000       1.266300      -1.514000    
 N   -3.513700     -0.4109000     -0.1332000    
 C   -4.698800     -0.7975000      0.6454000    
 C   -3.842600     -0.2494000      -1.556400    
 C   -5.292600      -2.109800      0.1312000    
 C   -4.408400      -1.544000      -2.142500    
 C   -5.621600      -2.025300      -1.355000    
 C   -2.930500      0.8199000      0.4001000    
 C   -1.628800       1.168400     -0.3320000    
 C   -1.012700       2.440200      0.2083000    
 C    1.423300     -0.9274000     -0.6260000    
 C   0.5155000      0.2876000     -0.8335000    
 C  -0.1111000       2.362900       1.255900    
 C   -1.364200       3.654400     -0.3562000    
 C    1.233500      -1.623000      0.7241000    
 C    2.899800     -0.6105000     -0.8737000    
 C   0.4565000       3.535600       1.754100    
 C  -0.7965000       4.827100      0.1420000    
 C   0.1138000       4.767700       1.197000    
 C    1.624800     -0.9623000       1.865700    
 C    3.676300      -1.548700      -1.514000    
 C   0.6784000      -2.881600      0.7441000    
 C    3.394200      0.6007000     -0.4471000    
 C    1.451600      -1.596000       3.096200    
 C    5.022100      -1.259800      -1.740100    
 C   0.5052000      -3.515200       1.974800    
 C    4.740000      0.8895000     -0.6733000    
 C   0.8918000      -2.872200       3.150800    
 C    5.553900     -4.0800001E-02  -1.319800    
 H   -4.423100     -0.9385000       1.697500    
 H   -5.463000     -9.8000001E-03  0.6111000    
 H   -2.960100     -3.4400001E-02  -2.163400    
 H   -4.558300      0.5697000      -1.705600    
 H   -6.199100      -2.352800      0.6971000    
 H   -4.580100      -2.927000      0.3018000    
 H   -3.634200      -2.322100      -2.132100    
 H   -4.688400      -1.385900      -3.190300    
 H   -6.455900      -1.329300      -1.506200    
 H   -5.946700      -3.003900      -1.724800    
 H   -3.641000       1.655000      0.3390000    
 H   -2.701400      0.6649000       1.463000    
 H   -1.795100       1.331800      -1.402000    
 H   0.1342000       1.427000       1.742200    
 H   -2.073900       3.710900      -1.176400    
 H    1.156600       3.490400       2.583200    
 H   -1.064300       5.786600     -0.2909000    
 H   0.5537000       5.681000       1.586800    
 H    1.222700      -1.395300      -2.541300    
 H    2.053900      3.1800002E-02   1.857300    
 H    3.286700      -2.509200      -1.835800    
 H   0.3667000      -3.412800     -0.1484000    
 H    2.792500       1.339500      7.1000002E-02
 H    1.750300      -1.094500       4.012200    
 H    5.657000      -1.985500      -2.240100    
 H   6.9100000E-02  -4.508900       2.017900    
 H    5.155300       1.837100     -0.3429000    
 H   0.7562000      -3.365300       4.108900    
 H    6.602100      0.1834000      -1.494400    


%chk=000057173-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057173

0 1
O -0.201240 0.619303 -0.167844
O 0.834390 -2.443490 -1.826895
O -0.503674 -0.192380 -2.336216
N -3.012124 -0.186701 -0.237439
C -3.758745 -1.034897 0.727698
C -3.742113 -0.012284 -1.518267
C -4.056397 -2.424007 0.128435
C -4.039826 -1.374593 -2.175501
C -4.819406 -2.294876 -1.209560
C -2.550395 1.081024 0.348967
C -1.288419 1.644772 -0.351428
C -0.809142 2.943218 0.265340
C 1.049272 -1.380757 -0.839131
C 0.013585 -0.266860 -1.192858
C -0.205760 2.957538 1.549154
C -1.002536 4.165782 -0.422218
C 0.780453 -1.983020 0.555195
C 2.492136 -0.826386 -0.978106
C 0.196829 4.178156 2.132445
C -0.608504 5.389429 0.165481
C -0.007308 5.398276 1.444733
C 1.338391 -1.410201 1.723766
C 3.500000 -1.728806 -1.401795
C -0.058440 -3.117083 0.674182
C 2.846503 0.512094 -0.676219
C 1.054440 -1.958458 2.993906
C 4.839233 -1.300764 -1.521113
C -0.339876 -3.666662 1.945048
C 4.188343 0.940458 -0.803665
C 0.211615 -3.088124 3.111123
C 5.189886 0.037320 -1.223584
H -3.144050 -1.142927 1.640495
H -4.727256 -0.551884 1.026031
H -3.118466 0.589611 -2.202828
H -4.704436 0.542606 -1.353910
H -4.639547 -3.019034 0.857719
H -3.095673 -2.946231 -0.040928
H -3.077133 -1.846509 -2.449028
H -4.611560 -1.212199 -3.109448
H -5.825838 -1.865412 -1.021046
H -4.974534 -3.291637 -1.664280
H -3.328604 1.886664 0.324487
H -2.294749 0.909854 1.411005
H -1.457645 1.757983 -1.436969
H -0.035852 2.011483 2.075572
H -1.456172 4.160978 -1.421081
H 0.669049 4.180427 3.121202
H -0.762685 6.329675 -0.375339
H 0.304231 6.345140 1.899632
H 0.485401 -1.999884 -2.650121
H 2.004786 -0.545742 1.643478
H 3.214165 -2.756099 -1.646234
H -0.460233 -3.569563 -0.236441
H 2.083296 1.224047 -0.345127
H 1.498807 -1.510331 3.890124
H 5.608381 -2.009321 -1.849135
H -0.984820 -4.549681 2.023349
H 4.446655 1.980814 -0.575372
H -0.003179 -3.517153 4.096602
H 6.229093 0.371207 -1.321539


