%chk=000179951.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179951

0 1
S 0.160278 2.957568 0.034747
P -0.379053 1.034026 -0.489942
O -1.940574 1.115152 0.038374
O 0.238437 0.090248 0.732917
O -0.104340 0.605944 -1.874982
C -2.919651 -0.855494 1.020016
C 2.357269 0.111432 1.808366
C -2.705942 -0.054965 -0.118417
C 1.601385 -0.219079 0.666483
C -3.776508 -1.965669 0.871919
C 3.715379 -0.267990 1.816335
C 0.874200 3.673374 -1.553765
C -4.150686 -1.406830 -1.479697
C 3.484579 -1.264055 -0.401839
C -3.298562 -0.299181 -1.357640
C 2.130905 -0.898828 -0.431998
C -4.381335 -2.227840 -0.367593
C 4.265045 -0.947023 0.718467
C -2.231762 -0.513878 2.297420
C 1.729981 0.837851 2.950201
C -4.048621 -2.879069 2.024286
C 4.580990 0.051610 2.992937
C -0.187256 3.706863 -2.627688
C 1.346498 5.043802 -1.113752
C -4.799210 -1.696582 -2.794005
C 4.076333 -1.998465 -1.560351
H 1.735301 3.031920 -1.858634
H -3.101204 0.351721 -2.206575
H 1.512330 -1.142611 -1.298828
H -5.040415 -3.087746 -0.466385
H 5.313883 -1.233596 0.738604
H -1.178265 -0.848113 2.267711
H -2.210986 0.576146 2.456377
H -2.702585 -0.962564 3.177586
H 2.084596 1.877265 2.998437
H 0.632812 0.876714 2.856576
H 1.953706 0.358121 3.911520
H -3.114926 -3.304274 2.421344
H -4.542618 -2.342805 2.847585
H -4.696834 -3.722040 1.753272
H 5.629959 -0.230272 2.837007
H 4.564038 1.127377 3.220205
H 4.233400 -0.476473 3.893047
H 0.128703 4.330021 -3.476353
H -0.391265 2.704588 -3.045094
H -1.143579 4.116834 -2.275818
H 1.832302 5.572977 -1.946493
H 2.081654 4.994636 -0.297986
H 0.522242 5.686112 -0.771451
H -5.455113 -0.869822 -3.103049
H -4.047047 -1.826739 -3.586473
H -5.411039 -2.607108 -2.776438
H 3.764915 -1.560186 -2.519939
H 5.173228 -2.002823 -1.546711
H 3.745232 -3.047978 -1.565341


%chk=000179951-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179951

0 1
S 0.240226 3.224081 0.133330
P -0.335280 1.133337 -0.509371
O -1.970029 1.039078 0.068182
O 0.384160 0.036487 0.660701
O -0.070017 0.801137 -2.046714
C -3.197571 -0.782191 1.110190
C 2.523275 -0.041553 1.816545
C -2.757072 -0.156129 -0.082583
C 1.780144 -0.281404 0.632880
C -4.058149 -1.909643 0.966332
C 3.893931 -0.439042 1.815543
C 0.628072 3.922564 -1.637856
C -3.957239 -1.718398 -1.510540
C 3.698267 -1.256301 -0.518022
C -3.111733 -0.592091 -1.372054
C 2.337327 -0.873541 -0.519940
C -4.417575 -2.354825 -0.332690
C 4.456209 -1.030049 0.657771
C -2.731117 -0.248929 2.450587
C 1.891713 0.607308 3.031650
C -4.590242 -2.653026 2.181825
C 4.751013 -0.218716 3.049545
C -0.671383 4.313622 -2.353437
C 1.599122 5.095943 -1.423701
C -4.364433 -2.215068 -2.887156
C 4.317169 -1.914942 -1.738921
H 1.123137 3.087566 -2.162965
H -2.728334 -0.061570 -2.250114
H 1.710777 -1.025546 -1.405308
H -5.075380 -3.228081 -0.425201
H 5.513704 -1.321987 0.673637
H -1.631360 -0.335417 2.535196
H -2.970147 0.824761 2.553006
H -3.188545 -0.791098 3.292403
H 2.439621 1.522697 3.325229
H 0.844584 0.880396 2.833624
H 1.911444 -0.073249 3.904785
H -3.771529 -3.069969 2.798199
H -5.186127 -1.991608 2.838843
H -5.238150 -3.491392 1.874728
H 5.782504 -0.574024 2.886694
H 4.800434 0.852227 3.325782
H 4.342995 -0.753140 3.929085
H -0.430672 4.725612 -3.353066
H -1.328177 3.439116 -2.496703
H -1.224511 5.081754 -1.784625
H 1.869932 5.522162 -2.408154
H 2.525547 4.772343 -0.919321
H 1.134783 5.900872 -0.825243
H -5.010806 -1.480298 -3.404042
H -3.481772 -2.381210 -3.531921
H -4.922507 -3.164989 -2.823501
H 4.004472 -1.411072 -2.671089
H 5.419872 -1.896182 -1.692401
H 4.005625 -2.974178 -1.821152


