%chk=000123971.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123971

0 1
 O  -0.9897000     -0.6360000       2.074500    
 O   0.1066000     -6.3999998E-03  -1.282700    
 O    2.794400      0.8651000      -1.285800    
 O    6.328400       2.159100      0.4180000    
 N   -1.544900      -1.629800      5.9500001E-02
 N    1.957400      -1.130400     -0.4035000    
 N    5.234600      0.3635000     -0.6122000    
 N   -3.655500      -1.427700       2.676700    
 N   -3.931700       1.938400     -0.5609000    
 N   -1.976100       2.868600      -1.053300    
 C  -0.2139000      -2.136100     -0.2489000    
 C  -0.4340000      -3.148400      -1.367000    
 C   -1.677100      -2.623600      -2.081300    
 C   -2.514900      -2.049700     -0.9487000    
 C   -1.836300     -0.9755000       1.246300    
 C   0.6073000     -0.9691000     -0.7082000    
 C   -3.295200     -0.6756000       1.481500    
 C    4.300100     -0.6605000     -0.2396000    
 C    4.405800     -0.7133000       1.272600    
 C   -3.528500      0.8224000       1.681900    
 C    2.955200     -0.2080000     -0.7109000    
 C    4.848600      0.6947000       1.669600    
 C    5.588500       1.188100      0.4503000    
 C   -3.100700       1.635900      0.4807000    
 C   -1.899600       2.220200      0.1539000    
 C   -3.212600       2.679100      -1.457300    
 C   -5.316100       1.554800     -0.7050000    
 H   0.2236000      -2.591300      0.6464000    
 H   0.4194000      -3.251300      -2.043900    
 H  -0.6531000      -4.133700     -0.9376000    
 H   -2.205000      -3.399900      -2.642000    
 H   -1.397300      -1.829900      -2.784300    
 H   -3.122500      -1.205100      -1.285300    
 H   -3.159300      -2.817100     -0.5061000    
 H   -3.945400      -1.019000      0.6774000    
 H    4.572700      -1.603900     -0.7220000    
 H    3.490700      -1.011800       1.792300    
 H    5.193000      -1.423500       1.556900    
 H   -4.583600       1.016600       1.911000    
 H   -2.960600       1.184900       2.550100    
 H    2.238100      -1.990300      6.1600000E-02
 H    5.500800      0.6835000       2.546100    
 H    3.989200       1.348400       1.848200    
 H    5.573900      0.5013000      -1.559300    
 H   -4.626500      -1.238600       2.922600    
 H   -3.601500      -2.427500       2.484300    
 H  -0.9824000       2.208900      0.7250000    
 H   -3.636300       3.051700      -2.380100    
 H   -5.690600       1.902100      -1.671500    
 H   -5.890300       2.019100      0.1004000    
 H   -5.385900      0.4659000     -0.6559000    


%chk=000123971-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123971

0 1
O -0.195030 -1.943455 1.447649
O 1.287869 -1.699054 -2.821941
O 3.578460 -0.453203 -1.440467
O 6.171351 1.734481 1.215763
N -1.358695 -1.984727 -0.555915
N 1.673035 -1.499024 -0.494143
N 4.705487 -0.113745 1.146547
N -2.590905 -1.755744 2.776575
N -3.499313 1.837100 -0.060932
N -1.947615 2.333276 -1.643809
C -0.291630 -2.783818 -1.250923
C -1.010131 -3.326361 -2.501095
C -2.039913 -2.218426 -2.835354
C -2.535691 -1.742302 -1.450769
C -1.268893 -1.690778 0.772911
C 0.964293 -1.925269 -1.632958
C -2.450069 -1.034560 1.507158
C 3.284674 -0.420547 1.015858
C 2.607176 0.926525 1.469668
C -2.156890 0.515103 1.675004
C 2.892489 -0.782780 -0.446356
C 3.673596 2.006851 1.171871
C 5.012770 1.247423 1.184353
C -2.273638 1.311947 0.407732
C -1.341497 1.633222 -0.589494
C -3.242872 2.443018 -1.292509
C -4.783954 1.832797 0.648342
H 0.044683 -3.576238 -0.555226
H -0.298006 -3.489854 -3.324313
H -1.516510 -4.278435 -2.260484
H -2.870463 -2.581412 -3.462412
H -1.537286 -1.392022 -3.365937
H -2.810768 -0.675356 -1.448109
H -3.397087 -2.344578 -1.101924
H -3.379597 -1.146265 0.918788
H 2.981826 -1.249348 1.683865
H 1.649796 1.100670 0.950877
H 2.402887 0.870946 2.552795
H -2.863295 0.889874 2.441890
H -1.141192 0.619432 2.097994
H 1.196504 -1.731759 0.410754
H 3.692603 2.826521 1.907015
H 3.549137 2.452930 0.168503
H 5.437594 -0.804373 0.975924
H -3.280818 -1.368939 3.424812
H -1.688805 -1.984430 3.207321
H -0.278582 1.399332 -0.615746
H -4.014511 2.945835 -1.872078
H -5.558768 2.254420 -0.011710
H -4.736689 2.447419 1.565271
H -5.085918 0.806980 0.923862


