%chk=000122998.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122998

0 1
 O   -2.442600      -1.401000       1.323200    
 O   -2.942800      -1.788200      -2.215400    
 O   -3.294600      -3.773200     -0.3928000    
 O  -0.1567000      -2.125300       2.776600    
 O    5.236500      -2.147700     -0.7308000    
 O    3.157300      -2.497800      -1.341700    
 N   -2.736800      0.5213000     -3.6600001E-02
 N   -3.233300       2.689500     -0.2113000    
 N  -0.3127000      0.6574000      5.2499998E-02
 N   0.4524000       2.971100     -8.0499999E-02
 N   -1.059900       4.815500     -0.2725000    
 N    4.040900      -1.777300     -0.8179000    
 C   -2.206000      -1.721100      -1.011400    
 C   -2.937100     -0.9230000      5.7300001E-02
 C   -2.054900      -3.067600     -0.3318000    
 C   -1.784800      -2.672400       1.116600    
 C  -0.3027000      -2.500700       1.418200    
 C   -1.542400       1.186300     -3.5000000E-02
 C   -3.721800       1.468600     -0.1450000    
 C   -1.872200       2.527900     -0.1437000    
 C  -0.8176000       3.435200     -0.1648000    
 C   0.6234000       1.630800      2.1500001E-02
 C    1.991100       1.183600      0.1086000    
 C    2.353300     -6.9499999E-02 -0.3928000    
 C    2.961400       1.999800      0.6960000    
 C    3.676400     -0.5032000     -0.3074000    
 C    4.284300       1.566100      0.7814000    
 C    4.641800      0.3148000      0.2796000    
 H   -1.216600      -1.317900      -1.243500    
 H   -4.019700      -1.098800      2.7600000E-02
 H   -1.286800      -3.700300     -0.7856000    
 H   -2.230800      -3.374700       1.829900    
 H   0.1650000      -1.732900      0.8036000    
 H   0.2365000      -3.440300       1.264600    
 H   -3.793500      -2.218600      -2.023900    
 H   -3.176700      -4.608400      9.1100000E-02
 H   -4.772000       1.211600     -0.1706000    
 H  -0.6347000      -1.287600       2.901400    
 H   -2.006600       5.164700     -0.3353000    
 H  -0.2766000       5.454500     -0.2852000    
 H    1.602500     -0.6969000     -0.8687000    
 H    2.714400       2.975900       1.106700    
 H    5.035500       2.201900       1.240900    
 H    5.681800      9.8999999E-03  0.3641000    


%chk=000122998-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122998

0 1
O -2.756744 -1.502275 1.235386
O -2.747210 -1.820140 -2.417522
O -3.042832 -3.872833 -0.838098
O -0.689469 -2.086124 3.117070
O 5.233952 -2.383347 -0.378112
O 2.998861 -2.827488 -0.387119
N -2.791722 0.521599 -0.060082
N -3.314565 2.757370 0.095428
N -0.302859 0.713106 -0.054749
N 0.444347 3.045615 0.092216
N -1.059632 4.862009 0.221669
N 3.999341 -2.009885 -0.330859
C -2.124153 -1.688334 -1.119859
C -3.021244 -0.921540 -0.094426
C -1.886620 -3.054924 -0.419357
C -1.908146 -2.734401 1.085102
C -0.532507 -2.438706 1.704634
C -1.567705 1.210002 -0.015999
C -3.795585 1.506036 0.017798
C -1.919668 2.582722 0.077170
C -0.841987 3.515511 0.131559
C 0.660231 1.691035 0.000770
C 2.078014 1.236093 -0.042244
C 2.371229 -0.141106 -0.176109
C 3.148425 2.165018 0.053222
C 3.713213 -0.558432 -0.202088
C 4.489154 1.722168 0.020186
C 4.791413 0.350089 -0.106416
H -1.172336 -1.154625 -1.260948
H -4.087765 -1.073469 -0.346479
H -0.937919 -3.526144 -0.739328
H -2.413308 -3.524383 1.670201
H -0.031704 -1.622335 1.146645
H 0.104062 -3.340152 1.694903
H -3.300342 -2.650559 -2.375507
H -2.903205 -4.822891 -0.609392
H -4.851133 1.241850 0.007884
H -1.320416 -1.320955 3.159216
H -2.013471 5.217378 0.247475
H -0.264144 5.495779 0.256935
H 1.563915 -0.869320 -0.261893
H 2.901230 3.225549 0.153303
H 5.303820 2.449377 0.095907
H 5.818784 -0.021940 -0.130890


