%chk=000156696.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156696

0 1
 O    1.080900      0.5179000      -1.690200    
 O   -4.728900       1.377900      8.0399998E-02
 O   -5.256100      -1.107300     -0.5281000    
 O   0.2845000       3.370500     -0.1248000    
 N    5.183200     -0.6359000      -1.275000    
 C    5.768000     -0.3101000      2.8899999E-02
 C    3.880500      1.7700000E-02  -1.489600    
 C    4.870700     -0.8551000       1.147800    
 C    2.938800     -0.1108000     -0.3069000    
 C    3.420100     -0.4925000      0.9582000    
 C    1.571500      0.1663000     -0.4632000    
 C   0.6969000      6.4800002E-02  0.6188000    
 C    7.167500     -0.9167000      0.1226000    
 C    4.059600       1.482600      -1.910400    
 C    2.531400     -0.6011000       2.037100    
 C  -0.7165000      0.3477000      0.4662000    
 C    1.176700     -0.3180000       1.868300    
 C   -1.636000     -0.6588000      0.1131000    
 C   -1.156600       1.658000      0.6793000    
 C   -3.006900     -0.3345000     -2.4400000E-02
 C   -2.504400       1.977100      0.5438000    
 C   -3.424700      0.9884000      0.1944000    
 C   -1.218000      -1.981400     -0.1060000    
 C  -0.2079000       2.752200       1.055700    
 C   -3.919200      -1.342500     -0.3767000    
 C   -2.138100      -2.970100     -0.4557000    
 C   -3.486100      -2.651400     -0.5907000    
 C   -5.158700       1.823700      -1.202600    
 C   -6.072300      -1.258200      0.6297000    
 H    5.870200      0.7773000      0.1307000    
 H    3.426000     -0.5102000      -2.338400    
 H    5.223800     -0.4614000       2.109300    
 H    4.939200      -1.950100       1.193300    
 H    5.060900      -1.647300      -1.339500    
 H    4.426100       2.104300      -1.086000    
 H    4.773900       1.562700      -2.737900    
 H    3.120300       1.925900      -2.255700    
 H    7.627100     -0.6775000       1.087700    
 H    7.144100      -2.007800      2.2500001E-02
 H    7.818400     -0.5195000     -0.6643000    
 H    2.891600     -0.9115000       3.014700    
 H   0.5096000     -0.4077000       2.722500    
 H   -2.847300       2.996200      0.7075000    
 H   0.1276000      0.6912000      -1.661900    
 H  -0.1787000      -2.286000     -1.5100000E-02
 H  -0.7253000       3.516000       1.648600    
 H   0.6327000       2.415800       1.668400    
 H   -1.801900      -3.989200     -0.6231000    
 H   -4.194400      -3.429000     -0.8647000    
 H   0.8831000       4.084000      0.1546000    
 H   -4.784600       2.835500      -1.387500    
 H   -6.251800       1.849900      -1.208700    
 H   -4.819300       1.154900      -2.000200    
 H   -6.228600      -2.321500      0.8365000    
 H   -7.042600     -0.7960000      0.4284000    
 H   -5.628400     -0.7746000       1.506000    


%chk=000156696-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156696

0 1
O 1.405549 1.240047 -1.584328
O -4.937833 1.397691 -0.020165
O -5.402647 -1.386873 -0.222507
O 0.139467 3.396243 -0.702280
N 5.300713 -0.406616 -1.293429
C 5.854175 -0.574899 0.076695
C 4.080270 0.443092 -1.349341
C 4.823322 -1.234475 1.032503
C 3.044980 0.080130 -0.270956
C 3.410035 -0.678558 0.870899
C 1.698066 0.527015 -0.416737
C 0.695579 0.192794 0.542863
C 7.165575 -1.374854 0.011510
C 4.466743 1.943648 -1.272158
C 2.431553 -0.957954 1.860719
C -0.763675 0.501337 0.347828
C 1.100795 -0.536110 1.693560
C -1.687831 -0.591054 0.096306
C -1.270763 1.811728 0.444822
C -3.125791 -0.349769 0.003653
C -2.667035 2.053655 0.290115
C -3.576634 1.021273 0.073165
C -1.193052 -1.926253 -0.091594
C -0.360600 2.994728 0.656850
C -3.991159 -1.497660 -0.162558
C -2.058916 -2.993993 -0.323368
C -3.466063 -2.780890 -0.335668
C -5.500390 1.387403 -1.389079
C -6.069713 -1.181102 1.080776
H 6.080311 0.441133 0.455342
H 3.612750 0.284928 -2.338707
H 5.150698 -1.126395 2.085894
H 4.802532 -2.326906 0.826359
H 5.130395 -1.328116 -1.725774
H 4.910440 2.199633 -0.292773
H 5.204812 2.169952 -2.060795
H 3.569883 2.567138 -1.425812
H 7.603371 -1.506440 1.018157
H 6.988013 -2.383044 -0.412784
H 7.898838 -0.857915 -0.630827
H 2.716516 -1.525422 2.754882
H 0.346421 -0.785944 2.448522
H -3.056006 3.076276 0.336422
H 0.752102 1.996911 -1.404033
H -0.113434 -2.091408 -0.062683
H -0.913297 3.847273 1.092093
H 0.503227 2.734900 1.297728
H -1.661678 -4.001871 -0.483015
H -4.166800 -3.608724 -0.482963
H 0.781462 4.146451 -0.622344
H -4.893844 2.032729 -2.053853
H -6.515708 1.801328 -1.288618
H -5.551491 0.355815 -1.777718
H -5.815132 -2.007252 1.773295
H -7.148657 -1.195471 0.861708
H -5.788844 -0.204482 1.511899


