%chk=000190513.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190513

0 1
S -1.722139 2.492440 0.834097
F 0.021149 3.963002 2.003810
F -0.291672 4.443746 -0.023121
N 1.607626 -1.045295 -0.696298
N -0.650568 -1.664601 -0.528995
N 0.042569 0.634641 0.002453
N -2.917497 -2.242256 -0.289240
N -2.296643 0.002565 0.239919
C 2.748801 -0.079864 -0.700313
C 4.050832 -0.855321 -0.421257
C 4.120370 -1.379415 1.019048
C 2.809813 0.641688 -2.050494
C 5.429958 -2.116338 1.285932
C 0.318287 -0.676829 -0.409956
C -1.942858 -1.287621 -0.190000
C -4.338099 -1.943904 0.045183
C -1.261567 0.872022 0.301329
C -5.195443 -3.181173 -0.178486
C -0.120096 3.385883 0.794063
H 2.572765 0.674892 0.115441
H 4.174521 -1.690393 -1.137274
H 4.912282 -0.183817 -0.613556
H 3.263168 -2.052658 1.221407
H 4.011508 -0.537960 1.732431
H 3.618939 1.380089 -2.071313
H 2.967255 -0.046103 -2.888008
H 1.873840 1.184851 -2.246937
H 1.772562 -1.988190 -1.050548
H 5.551524 -2.982407 0.625550
H 6.299996 -1.466235 1.138681
H 5.470639 -2.485479 2.317761
H -2.667666 -3.178675 -0.599927
H -4.398171 -1.596441 1.104980
H -4.689809 -1.089481 -0.582513
H -5.174120 -3.520551 -1.222096
H -4.886421 -4.023253 0.454033
H -6.245531 -2.967915 0.065743
H 0.786796 2.800857 0.514868


%chk=000190513-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190513

0 1
S -1.794850 2.572653 0.830829
F 0.215226 3.999910 1.982624
F -0.188349 4.516698 -0.196639
N 1.585832 -0.973548 -0.702609
N -0.643328 -1.636193 -0.497381
N 0.024209 0.660675 -0.009627
N -2.897466 -2.212874 -0.254043
N -2.300829 0.008778 0.238477
C 2.733902 -0.038448 -0.704043
C 4.030768 -0.825003 -0.396839
C 4.082574 -1.431318 1.024045
C 2.818939 0.732303 -2.043221
C 5.380305 -2.226527 1.281643
C 0.296742 -0.642293 -0.399564
C -1.923004 -1.262074 -0.170230
C -4.316633 -1.967233 0.063767
C -1.275905 0.886457 0.287879
C -5.138137 -3.247578 -0.157098
C -0.130778 3.427422 0.723017
H 2.549373 0.688291 0.109033
H 4.160418 -1.628183 -1.154862
H 4.887606 -0.136483 -0.533067
H 3.204351 -2.087765 1.182171
H 3.993058 -0.614075 1.767650
H 3.630347 1.481966 -2.006261
H 3.024200 0.043519 -2.883604
H 1.870952 1.259325 -2.246789
H 1.726811 -1.936326 -1.017302
H 5.477440 -3.072052 0.574493
H 6.272534 -1.583949 1.159355
H 5.401007 -2.640376 2.305978
H -2.595726 -3.140807 -0.556084
H -4.403233 -1.621700 1.111052
H -4.695158 -1.143497 -0.569707
H -5.085396 -3.583776 -1.209089
H -4.785257 -4.069822 0.492565
H -6.198458 -3.060625 0.083536
H 0.632816 2.699026 0.406345


