%chk=000017800.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017800

0 1
 O  -8.3200000E-02  8.8200003E-02  -1.135600    
 O   -2.721700     -0.7104000     -0.6558000    
 N   -6.192100     -4.5299999E-02  0.3928000    
 C    1.314100      1.7300000E-02 -0.8887000    
 C    1.668900      -1.156200      4.1000000E-03
 C    1.814800       1.340800     -0.3489000    
 C    1.215800      -1.172300       1.312500    
 C   0.9029000       2.340200     -4.9300000E-02
 C    2.438800      -2.187200     -0.5072000    
 C    3.175300       1.527800     -0.1646000    
 C  -0.5856000      -1.141600      -1.644300    
 C    1.542100      -2.251700       2.133600    
 C    1.364100       3.559100      0.4479000    
 C    2.764900      -3.266600      0.3138000    
 C    3.636400       2.746700      0.3327000    
 C   0.3849000     -6.3900001E-02   1.871600    
 C  -0.5657000       2.148100     -0.2445000    
 C    2.931300      -2.176800      -1.917500    
 C    4.165800      0.4563000     -0.4848000    
 C   -2.076300      -1.004400      -1.887200    
 C    2.316700      -3.298800       1.634200    
 C    2.730900       3.762300      0.6389000    
 C   -4.123600     -0.5487000     -0.8272000    
 C   -4.748200     -0.2374000      0.5235000    
 C   -6.480500       1.037700     -0.5469000    
 C   -6.790500      0.2368000       1.697000    
 H    1.766900     -2.9899999E-02  -1.880400    
 H  -8.6800002E-02  -1.391100      -2.586600    
 H  -0.4527000      -1.956200     -0.9263000    
 H    1.202500      -2.295100       3.165000    
 H   0.6752000       4.363200      0.6927000    
 H    3.370000      -4.088100     -6.0400002E-02
 H    4.697400       2.922400      0.4895000    
 H   0.1563000     -0.2889000       2.923900    
 H  -0.5965000     -6.1400000E-02   1.407200    
 H   0.8959000      0.8902000       1.941400    
 H   -1.073700       1.399100      0.3489000    
 H  -0.8364000       2.122100      -1.307400    
 H   -1.071200       3.066500      9.3199998E-02
 H    2.267900      -1.711500      -2.646400    
 H    2.998300      -3.216300      -2.268800    
 H    3.943500      -1.780900      -1.999800    
 H    5.185900      0.8564000     -0.4084000    
 H    4.139700     -0.3691000      0.2249000    
 H    4.071900      0.1640000      -1.529100    
 H   -2.258900     -0.1839000      -2.590900    
 H   -2.475000      -1.935500      -2.304700    
 H    2.571400      -4.138800       2.273700    
 H    3.089800       4.711300       1.026500    
 H   -4.551300      -1.468500      -1.244300    
 H   -4.265400      0.2675000      -1.541800    
 H   -4.258100      0.6426000      0.9620000    
 H   -4.537300      -1.072100       1.204600    
 H   -7.546900       1.294000     -0.5168000    
 H   -5.916100       1.950400     -0.3236000    
 H   -6.296200      0.7395000      -1.583600    
 H   -7.879500      0.3228000       1.611600    
 H   -6.404500       1.162900       2.138100    
 H   -6.596600     -0.5849000       2.395500    


%chk=000017800-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017800

0 1
O 0.063199 0.184507 -1.489680
O -2.638664 -0.807857 -0.942978
N -6.034256 -0.219358 0.519164
C 1.434480 0.058673 -0.949020
C 1.520531 -1.087752 0.086551
C 1.909094 1.455409 -0.471442
C 0.880910 -0.994228 1.365414
C 1.073721 2.622899 -0.388842
C 2.191891 -2.303819 -0.273558
C 3.303737 1.578642 -0.145997
C -0.507969 -1.036116 -2.060745
C 1.001722 -2.070437 2.280374
C 1.648705 3.841721 0.066562
C 2.282872 -3.360218 0.667704
C 3.826164 2.814204 0.307152
C 0.017040 0.185726 1.771705
C -0.401573 2.707320 -0.769514
C 2.808500 -2.541509 -1.648353
C 4.290456 0.431219 -0.301297
C -1.997209 -0.786145 -2.259492
C 1.708206 -3.243169 1.948508
C 3.003973 3.949477 0.425477
C -4.056983 -0.433645 -0.998007
C -4.590541 -0.543601 0.437685
C -6.310049 1.229865 0.430869
C -6.681680 -0.823148 1.702069
H 2.101174 -0.218974 -1.794390
H -0.029764 -1.263087 -3.040515
H -0.370216 -1.900702 -1.381766
H 0.520008 -1.983929 3.261546
H 1.001744 4.724385 0.134279
H 2.804960 -4.282071 0.384944
H 4.891354 2.877976 0.559057
H -0.368918 0.045654 2.796161
H -0.845541 0.274899 1.086328
H 0.568413 1.140283 1.739426
H -1.016721 1.950511 -0.260136
H -0.544111 2.535182 -1.849579
H -0.788738 3.711931 -0.520344
H 2.080101 -2.394016 -2.466744
H 3.177171 -3.578982 -1.720445
H 3.666506 -1.875000 -1.851705
H 5.301604 0.752786 0.000202
H 4.017718 -0.447624 0.307564
H 4.355832 0.095242 -1.354735
H -2.153549 0.197163 -2.754948
H -2.427669 -1.581535 -2.909427
H 1.792645 -4.062946 2.670816
H 3.412795 4.902736 0.778690
H -4.625246 -1.121222 -1.660698
H -4.156142 0.599579 -1.398151
H -3.966400 0.101597 1.106025
H -4.444691 -1.587475 0.769184
H -7.401890 1.397738 0.421158
H -5.876861 1.810340 1.285743
H -5.899165 1.645983 -0.504780
H -7.768523 -0.625634 1.669965
H -6.290619 -0.429360 2.675009
H -6.533735 -1.917388 1.691451


