%chk=000053396.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053396

0 1
 O    1.023600     -4.6599999E-02 -0.6568000    
 O   -2.940500      -2.761000     -0.2099000    
 O  -0.1468000      -2.537900     -0.9945000    
 O   -3.087100       1.726300       1.075500    
 O  -0.8189000       3.172100      -1.682600    
 N    4.405100     -0.2712000      0.7814000    
 N  -0.4166000       2.086200      0.3698000    
 C    5.735400     -5.8699999E-02  0.2265000    
 C  -0.2870000     -0.2292000     -0.3122000    
 C    3.378500     -5.3300001E-02 -0.2270000    
 C   -2.968100     -0.5860000      0.4003000    
 C   -1.026400      0.8368000      0.2066000    
 C   -2.198400      -1.621700     -0.1194000    
 C  -0.8606000      -1.492000     -0.4883000    
 C    1.994400     -0.2871000      0.3569000    
 C   -2.370900      0.6755000      0.5687000    
 C    6.779100     -0.2487000       1.322700    
 C    5.982300      -1.014900     -0.9371000    
 C   -4.253600      -1.141200      0.6355000    
 C   -4.183100      -2.459600      0.2492000    
 C  -0.3504000       3.138000     -0.5493000    
 C  -1.1400000E-02  -3.689900     -0.1657000    
 C   -3.777700       2.543900      0.1373000    
 C   0.3990000       4.320100      1.2400000E-02
 H    5.826600      0.9725000     -0.1382000    
 H    3.472700     -0.7383000      -1.076000    
 H    3.432700      0.9654000     -0.6313000    
 H    1.819600      0.3913000       1.201200    
 H    1.905600      -1.319300      0.7177000    
 H    4.253400      0.3583000       1.569100    
 H    6.613900      0.4505000       2.150100    
 H    7.787100     -6.7199998E-02  0.9342000    
 H    6.754000      -1.266200       1.729000    
 H    7.043000      -1.008600      -1.214800    
 H    5.722300      -2.047900     -0.6787000    
 H    5.432000     -0.7285000      -1.838800    
 H   -5.124200     -0.6420000       1.036900    
 H  -4.2599998E-02   2.254300       1.301300    
 H   -4.893700      -3.273100      0.2390000    
 H   0.1053000      -3.416100      0.8885000    
 H   0.8848000      -4.231200     -0.4819000    
 H  -0.8734000      -4.350600     -0.2933000    
 H   -3.728200       3.581300      0.4793000    
 H   -3.350600       2.482300     -0.8688000    
 H   -4.826800       2.236000      0.1009000    
 H    1.379600       4.002700      0.3786000    
 H   0.5416000       5.072900     -0.7679000    
 H  -0.1735000       4.759800      0.8338000    


%chk=000053396-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053396

0 1
O 1.163385 0.066649 -0.288235
O -2.846937 -2.701652 0.814243
O 0.112300 -2.613949 0.097641
O -3.097684 2.073969 0.719020
O -1.842067 3.255779 -1.604357
N 4.646459 -0.725689 0.766254
N -0.332535 2.223936 -0.128496
C 5.996152 -0.106478 0.650002
C -0.182917 -0.193834 0.023994
C 3.513782 0.068774 0.251392
C -2.930442 -0.387619 0.639967
C -1.002974 0.989800 0.098422
C -2.105650 -1.535174 0.510092
C -0.730413 -1.491832 0.193767
C 2.242125 -0.788396 0.276651
C -2.376555 0.906592 0.437005
C 6.974189 -0.901137 1.539093
C 6.472487 -0.101653 -0.819368
C -4.235663 -0.874149 1.065014
C -4.149649 -2.244932 1.151315
C -0.760640 3.268114 -0.950393
C -0.431305 -3.781720 -0.630936
C -4.274267 2.346651 -0.143577
C 0.191213 4.463497 -0.983955
H 5.979991 0.954088 1.011595
H 3.718879 0.352753 -0.795998
H 3.334397 1.016967 0.819001
H 1.967904 -1.091337 1.306280
H 2.364363 -1.692922 -0.337333
H 4.472900 -1.035762 1.733248
H 6.666474 -0.874218 2.602575
H 7.993054 -0.480857 1.472017
H 7.007708 -1.957321 1.214717
H 7.483151 0.340231 -0.894258
H 6.504571 -1.136254 -1.205307
H 5.802383 0.487757 -1.470676
H -5.112229 -0.275594 1.300739
H 0.660423 2.209233 0.121726
H -4.853059 -3.027581 1.420893
H -1.278440 -4.228462 -0.084455
H 0.406556 -4.492808 -0.688433
H -0.752064 -3.488020 -1.648081
H -4.735033 3.251246 0.281379
H -3.923254 2.540566 -1.169393
H -4.995300 1.508366 -0.118756
H 0.227624 4.862741 -2.010012
H -0.207199 5.258845 -0.328048
H 1.214902 4.220996 -0.648074


