%chk=000216225.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216225

0 1
S -5.537735 -1.791567 1.027803
F 8.672095 0.916742 0.439555
O -0.946499 2.046025 0.418191
O -3.746167 3.355943 -1.102541
O -4.405302 -2.584019 1.473450
O -6.688682 -1.576358 1.877916
N 2.576934 -0.499168 -0.309944
N -0.967814 0.433879 -1.198418
N -6.149992 -2.601529 -0.364570
C 1.079205 -0.619638 -0.202879
C 0.692450 -2.100318 -0.443862
C 2.005276 -2.861303 -0.689970
C 3.073027 -1.775072 -0.921905
C 0.509099 0.345732 -1.274001
C 3.206145 -0.206127 1.019251
C 4.678543 0.080788 0.848957
C -1.589380 1.266703 -0.267676
C 5.616956 -0.555926 1.674839
C 5.108413 1.003598 -0.120091
C -3.073799 1.122453 -0.216679
C 6.980885 -0.277617 1.546484
C 6.464890 1.295237 -0.270238
C 7.371380 0.644496 0.572741
C -3.585981 -0.084809 0.289110
C -3.988912 2.133130 -0.573272
C -4.954600 -0.295537 0.421218
C -5.390949 1.926780 -0.429599
C -5.858855 0.727334 0.067025
C -2.390698 3.848899 -1.273769
H 0.709364 -0.287510 0.798756
H 0.151476 -2.509560 0.426108
H 0.011863 -2.209208 -1.303468
H 1.927262 -3.542241 -1.552359
H 2.264332 -3.491150 0.178507
H 4.064031 -2.069951 -0.529683
H 3.204635 -1.573458 -2.006789
H 0.803985 0.025761 -2.295303
H 0.947877 1.361093 -1.111149
H 3.042217 -1.017860 1.761932
H 2.712207 0.706961 1.433977
H -1.496671 -0.258524 -1.717772
H 5.288519 -1.272937 2.426682
H 4.369305 1.485912 -0.763906
H 7.711519 -0.766764 2.187805
H 6.802575 2.008370 -1.019958
H -2.883262 -0.875652 0.593634
H -6.066186 2.735926 -0.709483
H -6.936508 0.571233 0.194422
H -7.148438 -2.797287 -0.400382
H -5.643820 -3.416285 -0.703802
H -1.846744 3.224211 -1.986626
H -2.575459 4.851746 -1.680435
H -1.879714 3.902126 -0.300335


%chk=000216225-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216225

0 1
S -5.612959 -2.017569 0.245490
F 8.591234 1.353438 -0.298911
O -0.790219 1.942722 0.687354
O -3.513497 3.635113 -0.059548
O -4.381148 -3.033826 0.576481
O -6.992646 -1.960996 1.109802
N 2.539849 -0.991973 -0.069531
N -0.852986 0.413359 -1.064554
N -6.057810 -2.392344 -1.509168
C 1.055247 -0.952395 -0.161679
C 0.683763 -2.355386 -0.696144
C 1.727132 -3.278348 -0.018205
C 3.013872 -2.410329 0.012961
C 0.605949 0.213724 -1.080164
C 3.148720 -0.056064 0.890098
C 4.605608 0.278797 0.572021
C -1.462037 1.230961 -0.127211
C 5.500897 0.631460 1.612687
C 5.074253 0.282758 -0.765333
C -2.971383 1.162558 -0.103355
C 6.836553 0.998448 1.333561
C 6.405800 0.641774 -1.068892
C 7.256155 0.994943 -0.007201
C -3.549071 -0.135407 -0.053718
C -3.843065 2.292843 0.035322
C -4.921404 -0.282535 0.157983
C -5.232138 2.093800 0.287167
C -5.787403 0.809093 0.354367
C -2.236229 4.108957 -0.623649
H 0.582974 -0.795692 0.839014
H -0.355179 -2.639031 -0.454763
H 0.807301 -2.381201 -1.796851
H 1.869702 -4.230020 -0.557765
H 1.400752 -3.519368 1.010189
H 3.594978 -2.577747 0.943717
H 3.683841 -2.646730 -0.836478
H 0.939911 0.015542 -2.114219
H 1.068657 1.155559 -0.738061
H 3.089708 -0.441412 1.939414
H 2.554555 0.879602 0.877137
H -1.434761 -0.108831 -1.721550
H 5.154883 0.621806 2.653411
H 4.377524 -0.006153 -1.559250
H 7.537733 1.273328 2.126907
H 6.782108 0.648281 -2.096276
H -2.915683 -1.028222 -0.104965
H -5.852509 2.985827 0.409891
H -6.849093 0.653042 0.567979
H -7.087966 -2.363149 -1.596482
H -5.664813 -3.324577 -1.726252
H -1.984864 3.552904 -1.546580
H -2.421099 5.167135 -0.860844
H -1.425399 3.995234 0.112143


