%chk=000114982.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114982

0 1
 O   -2.206400      -1.141700      1.0100000E-02
 O    2.436500     -0.1435000      2.8200001E-02
 O   -6.857400      -1.940900     -5.4000001E-03
 N   -2.834400       1.659900     -7.4000000E-03
 C   -1.219300     -0.1856000      1.0200000E-02
 C   -1.513300       1.183000      1.2000001E-03
 C   -3.518000     -0.6940000      2.0000001E-03
 C   -3.779800      0.7710000     -6.8999999E-03
 C    1.145700      0.2879000      1.8800000E-02
 C   0.1021000     -0.6355000      1.8900000E-02
 C  -0.4563000       2.099100      1.1000000E-03
 C   0.8672000       1.653800      9.8999999E-03
 C    3.455100      0.8556000      2.8300000E-02
 C    4.797800      0.1861000      7.3000002E-03
 C   -4.527700      -1.569600      1.7000000E-03
 C   -5.196200       1.204200     -1.5500000E-02
 C   -5.937700      -1.130200     -7.1000000E-03
 C   -6.197100      0.3223000     -1.5500000E-02
 C    5.426600     -0.1336000       1.205500    
 C    5.401400     -0.1083000      -1.210100    
 C    6.675100     -0.7557000       1.186000    
 C    6.649700     -0.7304000      -1.229700    
 C    7.286500      -1.054000     -3.1599998E-02
 H   0.3179000      -1.700700      2.5800001E-02
 H  -0.6587000       3.167500     -5.2000000E-03
 H    1.626100       2.428400      1.1900000E-02
 H    3.375900       1.495800     -0.8605000    
 H    3.387700       1.480000      0.9292000    
 H   -4.343000      -2.638600      8.0000004E-03
 H   -5.398900       2.269800     -2.1700000E-02
 H   -7.230300      0.6506000     -2.1700000E-02
 H    4.958700      9.1799997E-02   2.159800    
 H    4.913700      0.1368000      -2.149700    
 H    7.170700      -1.008300       2.118900    
 H    7.125700     -0.9634000      -2.177700    
 H    8.258300      -1.538600     -4.6900000E-02


%chk=000114982-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114982

0 1
O -2.190287 -1.077556 -0.004638
O 2.447863 0.006922 0.002933
O -6.880650 -2.146833 -0.011697
N -2.913546 1.719005 0.008985
C -1.201411 -0.080616 0.000947
C -1.578785 1.305619 0.007701
C -3.550433 -0.679930 -0.003788
C -3.856784 0.760418 0.003193
C 1.147187 0.502669 0.004898
C 0.133590 -0.488986 -0.000561
C -0.537999 2.272743 0.013190
C 0.810940 1.891560 0.011898
C 3.574267 0.990928 0.005852
C 4.865700 0.212413 -0.001287
C -4.521996 -1.649566 -0.009864
C -5.261137 1.135371 0.005557
C -5.942435 -1.271631 -0.010907
C -6.250806 0.181695 -0.000295
C 5.480893 -0.167269 1.217635
C 5.474820 -0.154901 -1.227038
C 6.685380 -0.904485 1.212678
C 6.679306 -0.892064 -1.235485
C 7.286853 -1.267662 -0.014774
H 0.401789 -1.547762 -0.005942
H -0.831321 3.326751 0.018460
H 1.589237 2.658016 0.016173
H 3.480927 1.630083 -0.893646
H 3.485030 1.620216 0.912702
H -4.266618 -2.712545 -0.014784
H -5.478150 2.208041 0.012492
H -7.312497 0.449922 0.001834
H 5.013291 0.110545 2.169923
H 5.002511 0.132542 -2.174132
H 7.153763 -1.193492 2.159641
H 7.143014 -1.171399 -2.187641
H 8.222392 -1.837763 -0.020011


