%chk=000158893.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158893

0 1
 O    1.609100      0.9513000     -0.5806000    
 O    3.716900       1.561200      0.1339000    
 O   -3.441300      0.2114000      0.4422000    
 N    1.560700       1.995800       2.654100    
 C    3.512200      -1.697100     -0.3015000    
 C    3.413500     -0.4387000      -1.191400    
 C    4.051400      -2.853800      -1.165000    
 C    2.133100      -2.098900      0.2472000    
 C    4.480900      -1.472100      0.8715000    
 C    2.960700      0.8094000     -0.4675000    
 C    1.052900       2.095100      7.5300001E-02
 C  -0.4302000       2.157500     -0.2069000    
 C   -1.251700       1.142900      0.2558000    
 C  -0.9390000       3.228400     -0.9232000    
 C   -2.620700       1.200700     -4.9999999E-03
 C   -2.307900       3.286200      -1.184200    
 C   -3.148900       2.272400     -0.7249000    
 C    1.334900       2.038900       1.516500    
 C   -3.025900      -1.098000      0.2668000    
 C   -2.496300      -1.479200     -0.9527000    
 C   -3.152400      -1.991100       1.315400    
 C   -2.078900      -2.798300      -1.129800    
 C   -2.735000      -3.310100       1.138400    
 C   -2.198200      -3.713800     -8.4299996E-02
 H    2.738500     -0.6138000      -2.039600    
 H    4.388400     -0.2070000      -1.640600    
 H    4.139900      -3.777700     -0.5822000    
 H    5.043200      -2.618800      -1.567400    
 H    3.386600      -3.057900      -2.012100    
 H    1.733400      -1.341800      0.9301000    
 H    1.409200      -2.235300     -0.5640000    
 H    2.189200      -3.041200      0.8043000    
 H    4.627500      -2.395600       1.443500    
 H    4.104300     -0.7167000       1.569300    
 H    5.463400      -1.142800      0.5152000    
 H    1.534700       2.987400     -0.3468000    
 H  -0.8295000      0.3217000      0.8293000    
 H  -0.2955000       4.024100      -1.287000    
 H   -2.719300       4.120400      -1.745100    
 H   -4.214400       2.322600     -0.9317000    
 H   -2.414400     -0.7918000      -1.789500    
 H   -3.569800      -1.678200       2.267600    
 H   -1.664900      -3.113900      -2.083100    
 H   -2.827800      -4.023000       1.952500    
 H   -1.873700      -4.741000     -0.2223000    


%chk=000158893-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158893

0 1
O 1.584366 -0.138079 0.267321
O 3.030013 1.615700 -0.279301
O -4.011460 0.489406 -0.403287
N 0.206371 -0.450149 3.362397
C 4.805923 -1.101722 -0.557122
C 3.429806 -0.660686 -1.182337
C 5.313710 -2.307791 -1.392054
C 4.609762 -1.538539 0.918198
C 5.835533 0.054695 -0.639095
C 2.712959 0.408683 -0.388087
C 0.786856 0.842642 1.107254
C -0.424554 1.331217 0.327511
C -1.646255 0.618265 0.354421
C -0.294321 2.506515 -0.453201
C -2.731738 1.086074 -0.419283
C -1.395299 2.965071 -1.209808
C -2.616417 2.259704 -1.198966
C 0.462935 0.120463 2.347816
C -4.178618 -0.900112 -0.146604
C -3.326564 -1.882593 -0.701739
C -5.316006 -1.257303 0.607944
C -3.620302 -3.245860 -0.476304
C -5.599583 -2.624587 0.819532
C -4.752512 -3.622860 0.283501
H 2.769611 -1.540371 -1.266550
H 3.620185 -0.258861 -2.195292
H 6.303693 -2.637087 -1.025992
H 5.420499 -2.040001 -2.460364
H 4.621213 -3.167494 -1.319674
H 4.317970 -0.686638 1.560053
H 3.828194 -2.315193 1.009314
H 5.553000 -1.951453 1.320906
H 6.795398 -0.259645 -0.188811
H 5.479795 0.954092 -0.107707
H 6.029326 0.339526 -1.690562
H 1.460362 1.693153 1.330851
H -1.754015 -0.275356 0.978171
H 0.659714 3.043938 -0.472539
H -1.303037 3.875540 -1.810805
H -3.482937 2.599203 -1.773892
H -2.460661 -1.591115 -1.304506
H -5.955999 -0.467643 1.012437
H -2.964997 -4.013085 -0.903027
H -6.479901 -2.907991 1.406528
H -4.973115 -4.681874 0.453253


