%chk=000227913.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227913

0 1
O -1.674179 -1.927912 -1.145849
N -2.182653 0.050412 -0.150725
C -3.633123 -0.145548 -0.421200
C -1.778112 1.323221 0.493253
C 4.383433 -0.152395 0.546992
C -4.359527 -0.677025 0.826881
C -1.520099 2.424425 -0.552037
C -1.275175 -0.927096 -0.567964
C 2.906394 -0.335522 0.250347
C 0.174849 -0.688929 -0.267801
C 2.067704 -0.902522 1.222905
C 2.363810 0.047359 -0.986411
C 0.706780 -1.081925 0.965795
C 1.004106 -0.130873 -1.248143
C 4.765143 1.331772 0.484481
C 5.229593 -0.990424 -0.419120
C -5.852391 -0.839322 0.560268
C -1.163049 3.745039 0.121334
H -3.744618 -0.874926 -1.261470
H -4.078491 0.813140 -0.759985
H -0.865145 1.160806 1.109410
H -2.577244 1.642189 1.199016
H 4.592443 -0.515506 1.587551
H -3.918715 -1.651338 1.122228
H -4.197347 0.000579 1.686299
H -0.702640 2.111112 -1.231710
H -2.411182 2.553846 -1.196706
H 2.476769 -1.212683 2.183029
H 3.008006 0.479933 -1.750188
H 0.062478 -1.534399 1.719434
H 0.590870 0.152473 -2.216135
H 4.643808 1.743801 -0.523376
H 5.810962 1.482175 0.773910
H 4.143269 1.930321 1.159674
H 4.933892 -2.046087 -0.391273
H 6.293106 -0.935919 -0.163209
H 5.124770 -0.652125 -1.455916
H -6.041223 -1.542676 -0.260421
H -6.369880 -1.229243 1.444709
H -6.327131 0.111930 0.295621
H -0.258295 3.656808 0.734584
H -0.974280 4.527645 -0.623462
H -1.969388 4.103508 0.771481


%chk=000227913-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227913

0 1
O -1.616832 -1.388698 -1.537847
N -2.194332 0.328640 -0.077273
C -3.627231 0.040658 -0.346272
C -1.877793 1.611069 0.595172
C 4.500201 -0.287241 0.587827
C -4.181153 -1.071667 0.573720
C -1.964954 2.831335 -0.355972
C -1.257054 -0.497316 -0.696685
C 3.004593 -0.309970 0.262571
C 0.201429 -0.354265 -0.333017
C 2.037768 -0.362526 1.297825
C 2.540435 -0.298675 -1.080373
C 0.655346 -0.379580 1.009609
C 1.163331 -0.334915 -1.374911
C 5.181448 1.004109 0.060896
C 5.220226 -1.551035 0.044762
C -5.672524 -1.354696 0.295942
C -1.702890 4.156369 0.391141
H -3.733382 -0.274396 -1.400444
H -4.201132 0.974808 -0.201791
H -0.863066 1.565227 1.020264
H -2.582304 1.746062 1.439816
H 4.600832 -0.293040 1.692124
H -3.584985 -1.987626 0.407259
H -4.040255 -0.776486 1.632600
H -1.224996 2.698535 -1.168736
H -2.962999 2.861029 -0.835518
H 2.372086 -0.397709 2.342297
H 3.262423 -0.273198 -1.905486
H -0.070077 -0.449981 1.828975
H 0.815069 -0.366784 -2.412816
H 5.124006 1.062078 -1.041984
H 6.250374 1.021333 0.343857
H 4.698305 1.908583 0.472416
H 4.764406 -2.474120 0.445393
H 6.289569 -1.539294 0.326769
H 5.162227 -1.597740 -1.058554
H -5.825083 -1.677270 -0.750914
H -6.054056 -2.156546 0.953370
H -6.293867 -0.454639 0.466905
H -0.697715 4.162664 0.853039
H -1.762064 5.019079 -0.296224
H -2.445036 4.315935 1.196367


