%chk=000294258.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294258

0 1
S 3.549458 -0.173246 0.037789
F -2.681734 2.363101 -0.090303
F -4.368251 1.690584 -1.161793
F -4.448164 1.843623 0.956510
F -4.673840 -1.387014 1.409468
F -4.011932 -2.208074 -0.434390
F -5.468886 -0.677129 -0.412488
O -2.606113 -0.352447 -1.210457
O -0.880144 -1.433543 2.653854
O 4.644841 -0.946020 -0.515748
O 3.554225 0.165277 1.448168
N 3.403384 1.242729 -0.932068
C -3.137803 -0.028146 0.062092
C -2.132040 -0.140805 1.204828
C -1.370757 -1.477564 1.298297
C -0.215359 -1.572826 0.325033
C -3.663943 1.448549 -0.053484
C -4.321015 -1.050978 0.162179
C 2.049790 -0.993284 -0.305119
C 0.984308 -0.898571 0.590973
C -0.331548 -2.352127 -0.836554
C 1.934437 -1.767093 -1.462088
C 4.656176 1.705336 -1.591707
C 2.497903 2.316022 -0.440449
C 0.738999 -2.444939 -1.728804
C 5.757422 2.166922 -0.639379
C 2.926076 2.999074 0.855461
H -1.380422 0.679626 1.163736
H -2.627534 0.029024 2.195677
H -2.044438 -2.360424 1.219177
H 1.083286 -0.314154 1.517617
H -1.261644 -2.885570 -1.050303
H 4.394148 2.525602 -2.297627
H 5.031639 0.856114 -2.215351
H 1.484582 1.868457 -0.318503
H 2.399519 3.077304 -1.250156
H 2.778737 -1.855036 -2.155634
H -1.639529 -0.128568 -1.271169
H 0.646674 -3.052316 -2.629726
H -0.285359 -2.192548 2.835167
H 5.397487 2.927310 0.069832
H 6.165443 1.334980 -0.047887
H 6.598094 2.601543 -1.192030
H 2.996755 2.286594 1.696485
H 3.920796 3.460630 0.761921
H 2.220776 3.783122 1.147049


%chk=000294258-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000294258

0 1
S 3.503537 -0.176529 0.138391
F -2.046831 2.482259 1.143504
F -3.488111 2.530676 -0.586971
F -4.187602 1.787653 1.438722
F -4.753554 -0.943560 0.683304
F -3.427574 -1.669773 -1.006567
F -4.687887 0.187936 -1.274610
O -1.724850 0.488472 -0.900793
O -1.081510 -2.032371 2.729756
O 4.803385 -1.007552 -0.386420
O 3.378776 0.289628 1.703795
N 3.268314 1.197090 -1.105988
C -2.670029 0.321214 0.185321
C -2.084780 -0.327454 1.468455
C -1.490320 -1.751654 1.339286
C -0.294599 -1.852433 0.390981
C -3.105755 1.784160 0.527080
C -3.900223 -0.500036 -0.349117
C 1.952464 -1.202463 -0.228473
C 0.884874 -1.108099 0.669162
C -0.326605 -2.692466 -0.752426
C 1.954358 -2.030113 -1.364577
C 4.574436 1.725797 -1.601321
C 2.152334 2.125847 -0.765298
C 0.791535 -2.791300 -1.616927
C 5.554053 2.341936 -0.575108
C 2.364540 3.195034 0.331991
H -1.285162 0.335084 1.840807
H -2.866995 -0.367801 2.245674
H -2.267512 -2.473876 1.019395
H 0.973597 -0.489949 1.569950
H -1.228497 -3.277572 -0.965404
H 4.292240 2.470559 -2.371582
H 5.077138 0.890295 -2.119235
H 1.276841 1.499957 -0.505749
H 1.894510 2.612650 -1.727153
H 2.835315 -2.083044 -2.011698
H -1.146363 -0.319076 -0.960577
H 0.752306 -3.454159 -2.486862
H -0.609967 -2.903781 2.761839
H 5.130329 3.212439 -0.050071
H 5.851053 1.589475 0.175982
H 6.470472 2.666548 -1.102128
H 2.700045 2.730872 1.274762
H 3.099166 3.958911 0.026164
H 1.403610 3.709669 0.518827


