%chk=000284506.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284506

0 1
S 3.117537 -0.357867 -0.796839
S 0.704800 -3.009330 -0.105572
O -0.150254 0.778911 3.006417
O 2.213413 -1.210239 -1.596553
O 3.784056 0.695649 -1.551020
O 1.925025 -2.428927 0.493798
O 0.036179 -4.019934 0.698021
C -0.417370 0.698104 0.610170
C 0.883345 1.016572 -0.171347
C -0.577247 -0.828940 0.857643
C -1.666259 1.200814 -0.099839
C 2.148054 0.425635 0.452633
C -0.428836 -1.691915 -0.395604
C -0.285030 1.411711 1.984455
C -2.862662 1.316019 0.632866
C -1.674518 1.518855 -1.464201
C -0.297671 2.911203 1.980493
C 4.342292 -1.286059 0.004963
C 1.050335 -3.712636 -1.655606
C -4.033680 1.753687 0.013172
C -2.850352 1.957697 -2.082894
C -4.031298 2.079213 -1.347952
H 0.742965 0.637869 -1.214922
H 0.996038 2.114608 -0.281416
H 0.161002 -1.118435 1.646568
H -1.564454 -1.020587 1.327991
H 2.712951 1.206757 0.992336
H 1.883444 -0.318675 1.249047
H -1.423831 -2.055793 -0.715165
H -0.077245 -1.071511 -1.256342
H -2.884468 1.057072 1.691874
H -0.767799 1.423361 -2.063022
H -0.996613 3.337237 1.248125
H 0.699764 3.312488 1.750826
H -0.572417 3.304489 2.971421
H 5.022828 -1.794251 -0.692929
H 4.987237 -0.704171 0.672443
H 3.910019 -2.107799 0.623654
H 1.691051 -4.603125 -1.588132
H 0.166141 -4.030395 -2.217332
H 1.609957 -3.010026 -2.315650
H -4.953247 1.839680 0.591269
H -2.840751 2.203926 -3.144225
H -4.944931 2.421754 -1.829723


%chk=000284506-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000284506

0 1
S 3.343600 -0.117186 -0.904974
S 0.510753 -3.265083 0.020019
O -0.338491 0.883934 3.107130
O 2.368218 -0.910657 -1.979798
O 4.256296 1.128437 -1.437178
O 1.828528 -2.737529 0.867773
O -0.401787 -4.468830 0.638192
C -0.439509 0.719179 0.650583
C 0.866672 1.023443 -0.158391
C -0.589315 -0.806268 0.964811
C -1.697949 1.217584 -0.102805
C 2.152917 0.530436 0.511753
C -0.621073 -1.690402 -0.285739
C -0.342358 1.494736 2.007176
C -2.946269 1.194346 0.578975
C -1.674769 1.674020 -1.445023
C -0.213928 3.012696 1.949209
C 4.459639 -1.416017 -0.068235
C 1.126336 -3.775519 -1.712463
C -4.132956 1.609010 -0.059917
C -2.865360 2.084640 -2.089533
C -4.098301 2.054261 -1.402445
H 0.789778 0.521755 -1.144177
H 0.935384 2.104907 -0.366179
H 0.242724 -1.115696 1.625854
H -1.501826 -0.961657 1.561497
H 2.756192 1.302695 1.012432
H 2.023343 -0.368516 1.134801
H -1.599323 -2.136452 -0.518638
H -0.159410 -1.242654 -1.179395
H -2.989693 0.851764 1.620607
H -0.736686 1.717777 -2.006384
H -0.746779 3.445645 1.087108
H 0.855608 3.289108 1.864049
H -0.593847 3.448775 2.886763
H 5.102182 -1.798275 -0.873715
H 5.039135 -0.882702 0.698965
H 3.768347 -2.170536 0.342692
H 1.745989 -4.666397 -1.538137
H 0.232805 -4.012280 -2.307923
H 1.698536 -2.911946 -2.090360
H -5.082030 1.584629 0.486841
H -2.825323 2.428913 -3.128982
H -5.018500 2.374610 -1.902937


