%chk=000199151.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199151

0 1
S 2.249018 0.696784 1.697808
N -4.286817 -1.145198 0.593725
N 0.686350 0.129735 -0.922808
C -1.805505 -0.062209 -0.552965
C -1.805286 -1.226191 0.452473
C -3.140274 -0.054235 -1.321655
C -0.631105 -0.176603 -1.552801
C -3.016699 -1.140161 1.393867
C -4.328170 0.022359 -0.348236
C -5.470248 -1.112901 1.505353
C 1.428502 -0.948444 -0.358274
C 0.958850 1.493184 -0.605844
C 2.248462 -0.789050 0.775355
C 1.735964 1.869958 0.506403
C 1.402909 -2.212509 -0.991455
C 0.490632 2.509962 -1.469370
C 3.046037 -1.831567 1.246942
C 2.072784 3.203074 0.738582
C 2.184693 -3.257839 -0.503653
C 0.812264 3.843460 -1.221529
C 3.011549 -3.074834 0.610374
C 1.605000 4.197677 -0.124524
H -1.705403 0.899412 0.009193
H -0.873104 -1.221828 1.049399
H -1.826583 -2.194357 -0.085689
H -3.231119 -0.975555 -1.931411
H -3.184615 0.797150 -2.023745
H -0.782411 0.524508 -2.406891
H -0.598116 -1.196004 -2.001228
H -3.031940 -2.033132 2.056181
H -2.923056 -0.250485 2.053077
H -4.327618 1.002501 0.175325
H -5.278948 -0.039133 -0.921116
H -5.450023 -2.007836 2.148124
H -6.389811 -1.175097 0.901788
H -5.538012 -0.225219 2.150845
H 0.775586 -2.369397 -1.868738
H -0.113497 2.252524 -2.338365
H 3.691417 -1.682463 2.114926
H 2.693846 3.473794 1.594779
H 2.153991 -4.227474 -1.001239
H 0.444796 4.617343 -1.895711
H 3.624378 -3.893825 0.978295
H 1.857334 5.239521 0.055834


%chk=000199151-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000199151

0 1
S 2.357747 0.325257 1.922418
N -4.550031 -0.777480 0.687062
N 0.600254 -0.182694 -0.524142
C -1.930526 -0.147289 -0.507964
C -2.062608 -0.816370 0.879494
C -3.169079 -0.495447 -1.368161
C -0.635690 -0.576306 -1.240500
C -3.394234 -0.424988 1.548809
C -4.468880 -0.111696 -0.634060
C -5.840870 -0.527057 1.355459
C 1.666586 -1.125853 -0.388082
C 0.856853 1.203183 -0.289762
C 2.606306 -0.999027 0.672991
C 1.712822 1.605968 0.773392
C 1.841869 -2.197947 -1.305699
C 0.293017 2.218056 -1.110826
C 3.675555 -1.904157 0.817125
C 2.011897 2.963736 0.998370
C 2.888764 -3.130269 -1.138268
C 0.561563 3.581367 -0.862842
C 3.811635 -2.990273 -0.078448
C 1.423691 3.963357 0.188902
H -1.917779 0.951793 -0.357251
H -1.215454 -0.524939 1.528355
H -2.033639 -1.917952 0.760736
H -3.185383 -1.584597 -1.572969
H -3.129496 0.031619 -2.342934
H -0.644812 -0.190485 -2.284271
H -0.639450 -1.677888 -1.306163
H -3.504278 -0.958356 2.511686
H -3.381668 0.675068 1.778332
H -4.512581 1.007228 -0.530581
H -5.347391 -0.418896 -1.232689
H -5.886066 -1.094533 2.302338
H -6.669020 -0.871957 0.710109
H -6.015660 0.554160 1.592731
H 1.170772 -2.298320 -2.163967
H -0.352200 1.942492 -1.950083
H 4.388252 -1.766946 1.637347
H 2.689826 3.236207 1.814211
H 2.991453 -3.955343 -1.851624
H 0.104373 4.343428 -1.503583
H 4.629992 -3.706187 0.048139
H 1.639568 5.019731 0.378262


