%chk=000221564.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221564

0 1
O 1.092875 -0.019055 -2.065231
N 1.368836 1.400026 0.591712
C -0.231981 -0.536141 0.623285
C 1.238499 -0.082581 0.367020
C -1.225598 0.189090 -0.302091
C -0.355236 -2.067484 0.477133
C -2.677329 0.035137 0.164278
C 1.652328 -0.426666 -1.076657
C -3.646419 0.743933 -0.792656
C 0.376922 -2.836999 1.572685
C 2.684588 1.911405 0.102128
C 1.209811 1.724969 2.041946
C 2.831249 -1.362206 -1.179616
C -5.097788 0.601032 -0.339245
H -0.478058 -0.262458 1.681687
H 1.892997 -0.658243 1.075547
H -1.109185 -0.168595 -1.345137
H -0.954324 1.266374 -0.351076
H -0.001287 -2.389598 -0.520657
H -1.432783 -2.338154 0.497208
H -2.793253 0.445866 1.185172
H -2.942147 -1.037940 0.237893
H -3.380510 1.816777 -0.868381
H -3.530547 0.334522 -1.815510
H -0.008912 -2.585278 2.567594
H 0.254855 -3.918679 1.441953
H 1.451972 -2.626095 1.575407
H 2.697721 1.856752 -1.000950
H 3.567944 1.393774 0.499387
H 2.771803 2.981318 0.353819
H 1.193143 2.821608 2.153443
H 1.991458 1.319588 2.699599
H 0.230647 1.353756 2.392053
H 2.613802 -2.335065 -0.720450
H 3.723139 -0.955352 -0.690399
H 3.091118 -1.551587 -2.231647
H -5.253827 1.033534 0.655232
H -5.778885 1.110893 -1.029601
H -5.403938 -0.449877 -0.292278


%chk=000221564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221564

0 1
O 1.344322 0.125806 -2.135226
N 1.352171 1.418497 0.534687
C -0.174028 -0.616830 0.523156
C 1.281207 -0.054114 0.322170
C -1.212723 0.096870 -0.385805
C -0.241566 -2.163334 0.366934
C -2.641039 0.092967 0.207662
C 1.799508 -0.418602 -1.096492
C -3.682506 0.738883 -0.734836
C 0.482073 -2.964810 1.473203
C 2.705237 1.956919 0.272660
C 0.851500 1.849662 1.856505
C 2.887114 -1.484086 -1.171419
C -5.103653 0.774090 -0.132673
H -0.439345 -0.402737 1.580583
H 1.948038 -0.578492 1.058741
H -1.223307 -0.385078 -1.383420
H -0.880758 1.138159 -0.555174
H 0.138915 -2.457278 -0.631976
H -1.311104 -2.450760 0.373021
H -2.638694 0.640658 1.174942
H -2.963386 -0.944100 0.440761
H -3.355908 1.769080 -0.982760
H -3.697661 0.181556 -1.693522
H 0.090411 -2.692965 2.471857
H 0.331520 -4.051669 1.337622
H 1.572132 -2.779391 1.485170
H 2.995019 1.761198 -0.773366
H 3.492315 1.529775 0.947180
H 2.695081 3.051885 0.414026
H 1.000049 2.939725 1.951840
H 1.374086 1.354481 2.715259
H -0.229172 1.653560 1.950772
H 2.577407 -2.404029 -0.641659
H 3.801186 -1.119350 -0.662795
H 3.120795 -1.719098 -2.221606
H -5.120926 1.353431 0.810070
H -5.827159 1.239018 -0.827552
H -5.463452 -0.247196 0.096057


