%chk=000216052.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216052

1 1
O -1.144952 1.743994 -0.381745
N 1.667164 -0.016592 -0.226971
C 0.359240 -0.545785 0.380295
C 2.789812 -0.106192 0.824517
C 2.077444 -0.835351 -1.465055
C -0.819649 -0.585782 -0.593047
C 1.495596 1.422989 -0.661294
C -1.890094 0.500396 -0.311487
C 2.543332 0.746716 2.054421
C 2.283659 -2.310963 -1.182967
C -2.979458 0.507211 -1.380741
C -2.462614 0.369151 1.023284
C -2.958293 0.274303 2.116783
H 0.100642 0.102361 1.257923
H 0.552382 -1.564891 0.787647
H 2.910706 -1.176443 1.120126
H 3.748616 0.197084 0.338914
H 1.285037 -0.705873 -2.245021
H 3.008653 -0.389553 -1.889884
H -1.316184 -1.580600 -0.529359
H -0.493882 -0.497835 -1.650570
H 0.737583 1.522076 -1.468370
H 1.088464 2.047617 0.161934
H 2.441767 1.868799 -1.003953
H 3.358282 0.599331 2.786985
H 2.527031 1.825529 1.842587
H 1.613985 0.498767 2.585605
H 2.574929 -2.835760 -2.112455
H 3.089728 -2.516656 -0.465390
H 1.377189 -2.820159 -0.827697
H -3.773895 1.233921 -1.153535
H -2.583197 0.772680 -2.369060
H -3.481110 -0.465994 -1.471305
H -1.743406 2.516642 -0.268088
H -3.391205 0.191861 3.057774


%chk=000216052-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216052

1 1
O -1.380948 1.855564 -0.454739
N 1.756833 0.065695 -0.243705
C 0.373998 -0.308693 0.342910
C 2.839274 -0.059817 0.868427
C 2.170851 -0.862466 -1.419512
C -0.772422 -0.437861 -0.689260
C 1.732143 1.501054 -0.767949
C -1.974823 0.489692 -0.356667
C 2.550904 0.690200 2.174358
C 2.036209 -2.366795 -1.158740
C -3.109505 0.320756 -1.390868
C -2.473914 0.254616 1.020346
C -2.899696 0.082399 2.164058
H 0.134745 0.490993 1.060035
H 0.525287 -1.245559 0.902562
H 2.948637 -1.138416 1.066612
H 3.774267 0.304678 0.407478
H 1.557153 -0.562877 -2.284407
H 3.218176 -0.595914 -1.647041
H -1.133270 -1.479402 -0.729126
H -0.449659 -0.168558 -1.711105
H 0.861779 1.638460 -1.424044
H 1.627723 2.194390 0.077195
H 2.671578 1.694137 -1.309171
H 3.426762 0.553174 2.833139
H 2.423177 1.776681 2.036752
H 1.677566 0.291869 2.715039
H 2.382405 -2.894794 -2.064746
H 2.661487 -2.726431 -0.324742
H 0.993373 -2.677957 -0.984936
H -3.945519 1.005987 -1.167546
H -2.731194 0.546748 -2.403139
H -3.510064 -0.707675 -1.376675
H -2.073719 2.529768 -0.233560
H -3.296293 -0.066647 3.153568


