%chk=000216983.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216983

0 1
S 0.219060 1.690116 1.347370
S -0.271030 1.497391 -2.081008
P 0.325222 0.644398 -0.474863
O 1.943044 0.331792 -0.699386
C -0.474580 -0.987113 0.004910
C 4.057893 -0.552745 -0.332713
C 2.718593 -0.293106 0.360000
C 5.081754 -1.149362 0.638729
C -1.949958 -0.764475 0.078877
C 6.417338 -1.410844 -0.052697
C -2.737629 -0.834889 -1.082320
C -2.561033 -0.501227 1.316007
C -4.118104 -0.635367 -1.003323
C -3.942536 -0.304988 1.386516
C -4.724066 -0.371605 0.229048
C 0.467382 3.422558 0.855673
H -0.066505 -1.375715 0.959130
H -0.217532 -1.753607 -0.761445
H 4.433411 0.396391 -0.768774
H 3.903237 -1.220195 -1.204085
H 2.241819 -1.229928 0.694958
H 2.822019 0.413238 1.205216
H 4.693533 -2.094281 1.067564
H 5.234913 -0.464249 1.496335
H 6.311070 -2.114592 -0.886742
H 6.849912 -0.488709 -0.459030
H 7.148389 -1.836184 0.644316
H -2.276722 -1.028831 -2.051246
H -1.963391 -0.441991 2.223543
H -4.722330 -0.681769 -1.908401
H -4.410381 -0.097016 2.347349
H -5.799062 -0.215405 0.286187
H 1.472138 3.598626 0.449975
H 0.341037 4.036222 1.757571
H -0.271505 3.754862 0.109459


%chk=000216983-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216983

0 1
S 0.463883 1.741372 1.485311
S -0.285156 1.798685 -2.165324
P 0.374879 0.656160 -0.577387
O 1.993044 0.038910 -0.895956
C -0.600534 -0.932585 -0.163710
C 4.244137 -0.667577 -0.379292
C 2.855721 -0.429960 0.220206
C 5.251326 -1.182188 0.677021
C -2.083447 -0.726865 0.023742
C 6.650666 -1.433278 0.074538
C -2.955034 -0.741230 -1.096355
C -2.627709 -0.517556 1.317373
C -4.344582 -0.560571 -0.924656
C -4.017664 -0.337616 1.489427
C -4.880416 -0.360563 0.368922
C 0.328861 3.524999 0.888782
H -0.119334 -1.338777 0.743321
H -0.372743 -1.599796 -1.013842
H 4.607095 0.279169 -0.821898
H 4.158415 -1.397781 -1.206601
H 2.444173 -1.369847 0.646088
H 2.878983 0.343598 1.013205
H 4.869804 -2.121135 1.127726
H 5.330486 -0.446708 1.503154
H 6.606075 -2.192861 -0.728170
H 7.065137 -0.506196 -0.363595
H 7.360539 -1.792243 0.841852
H -2.542277 -0.883629 -2.101591
H -1.961570 -0.487505 2.187449
H -5.007058 -0.574128 -1.797042
H -4.426335 -0.179669 2.493661
H -5.959182 -0.222243 0.502412
H 1.304216 4.020896 0.990425
H -0.437680 4.017222 1.505062
H 0.008680 3.518894 -0.171558


