%chk=000242982.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242982

0 1
S 0.091841 -0.104044 2.818310
P 0.074743 0.010367 0.869486
N 1.645646 -0.171196 0.082964
N -0.519094 1.563378 0.295030
C 2.306449 -1.460025 0.483439
C 2.541652 1.008259 0.332905
C -0.742649 1.611700 -1.185569
C -1.685080 2.093233 1.072408
C 3.577074 -1.648497 -0.365876
C 3.816765 0.850545 -0.515450
C -0.984450 3.071896 -1.611819
C -1.937314 3.555525 0.660947
C 4.536241 -0.464475 -0.190160
C -2.168878 3.678526 -0.849727
C -0.963578 -1.322103 0.105284
C -0.729276 -1.727938 -1.209808
C -1.981952 -1.893423 0.866487
C -1.539832 -2.717392 -1.776589
C -2.792461 -2.882729 0.292756
C -2.572078 -3.291547 -1.025210
H 1.611931 -2.309890 0.292013
H 2.580237 -1.495552 1.565387
H 2.824667 1.123090 1.405775
H 2.014220 1.944111 0.031579
H -1.605204 0.987728 -1.515754
H 0.166797 1.231020 -1.707606
H -1.446957 2.067878 2.164829
H -2.614619 1.500386 0.918485
H 3.298158 -1.747699 -1.433218
H 4.073427 -2.594310 -0.081357
H 4.486110 1.712061 -0.337978
H 3.551119 0.874683 -1.590493
H -1.159229 3.116121 -2.701864
H -0.071201 3.668279 -1.414344
H -1.065280 4.173281 0.956707
H -2.803957 3.951119 1.221281
H 4.922355 -0.439409 0.847141
H 5.418952 -0.588439 -0.843954
H -2.298155 4.740420 -1.129726
H -3.108566 3.168865 -1.134903
H 0.081637 -1.300074 -1.806750
H -2.162221 -1.600809 1.907963
H -1.366296 -3.043389 -2.800016
H -3.590256 -3.335710 0.878819
H -3.202438 -4.061821 -1.468721


%chk=000242982-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242982

0 1
S -0.307067 -0.046549 3.063306
P -0.144591 -0.062412 0.967590
N 1.479905 -0.139501 0.242698
N -0.747712 1.434958 0.249827
C 2.222339 -1.418125 0.450501
C 2.347347 1.048754 0.501155
C -0.773797 1.587102 -1.226312
C -1.785549 2.214662 0.964153
C 3.405582 -1.491637 -0.538216
C 3.528253 1.046273 -0.490400
C -0.624966 3.078731 -1.606650
C -1.633366 3.714557 0.635335
C 4.337073 -0.267511 -0.380890
C -1.685828 3.948007 -0.892861
C -1.008015 -1.536470 0.190821
C -0.788592 -1.888325 -1.164558
C -1.938785 -2.258271 0.972839
C -1.504173 -2.965714 -1.732751
C -2.654639 -3.332527 0.398225
C -2.440477 -3.686731 -0.954455
H 1.535380 -2.267286 0.293142
H 2.599143 -1.478868 1.497459
H 2.729697 1.024899 1.547747
H 1.732195 1.957561 0.388992
H -1.728478 1.190527 -1.645513
H 0.059103 1.003608 -1.656076
H -1.673416 2.030464 2.047225
H -2.804415 1.874257 0.662518
H 3.006871 -1.528524 -1.571076
H 3.964136 -2.431358 -0.362700
H 4.175531 1.920495 -0.283894
H 3.133464 1.158211 -1.519391
H -0.710868 3.180026 -2.706385
H 0.388388 3.421641 -1.318311
H -0.665217 4.071049 1.037474
H -2.437215 4.280204 1.144973
H 4.828949 -0.309849 0.612771
H 5.141439 -0.293512 -1.140144
H -1.530062 5.017470 -1.130535
H -2.694957 3.677851 -1.268816
H -0.050050 -1.340642 -1.760165
H -2.076444 -1.976932 2.024215
H -1.329763 -3.242925 -2.778328
H -3.372976 -3.893559 1.006118
H -2.994377 -4.522075 -1.397555


