%chk=000254693.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254693

0 1
S -0.437441 3.652440 -0.620596
O 1.831763 0.179799 -1.114916
O 2.815746 1.391274 1.834284
O 2.023707 -1.976032 1.288969
O 4.939846 -1.610180 -1.341137
O -4.610345 -0.430556 -0.314193
N -0.139285 0.949287 -0.122214
N -0.643169 -1.518224 0.186965
N -2.309943 1.636439 -0.481003
N -3.016660 -2.042374 0.038715
N -1.443653 -3.740024 0.594002
C 1.325755 1.014210 -0.058352
C 1.879422 0.463925 1.292210
C 2.721996 -0.780728 0.917842
C 2.767172 -0.815443 -0.623778
C 4.135183 -0.439380 -1.219125
C -0.969828 -0.186109 -0.051402
C -1.039665 2.035835 -0.418103
C -2.301417 0.258505 -0.247303
C -3.440985 -0.677829 -0.190783
C -1.771864 -2.410445 0.233218
C -1.767936 4.649720 0.077142
H 1.684832 2.051986 -0.282931
H 1.083972 0.239534 2.033761
H 3.719881 -0.758276 1.405582
H 2.404935 -1.788608 -1.033240
H 4.658475 0.344668 -0.646960
H 4.009932 -0.099438 -2.271299
H 2.349579 2.152898 2.251915
H 2.065791 -2.126240 2.260277
H 0.319895 -1.815205 0.392266
H 5.280278 -1.893134 -0.467672
H -1.579289 5.699779 -0.182212
H -1.831277 4.554252 1.166917
H -2.747943 4.363579 -0.342251
H -0.634031 -4.147406 0.140221
H -2.244427 -4.376297 0.584585


%chk=000254693-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000254693

0 1
S -0.091947 3.613035 -0.016124
O 1.643876 -0.233075 -1.192520
O 3.216146 1.079118 1.510079
O 1.804809 -2.281580 0.934026
O 5.129332 0.009747 -0.167965
O -4.711303 -0.077621 0.380510
N -0.115293 0.792829 0.046563
N -0.833634 -1.606495 0.186237
N -2.198015 1.750408 0.128477
N -3.238239 -1.914280 0.285048
N -1.793631 -3.762625 0.271929
C 1.327492 0.700978 -0.093696
C 2.107971 0.174590 1.169116
C 2.745635 -1.164364 0.704341
C 2.875143 -0.987626 -0.817758
C 4.177781 -0.230038 -1.249269
C -1.051961 -0.244343 0.140204
C -0.893307 1.989090 0.041615
C -2.323704 0.341396 0.185006
C -3.528021 -0.505514 0.293668
C -2.002731 -2.391482 0.242171
C -1.654247 4.651042 -0.211056
H 1.694697 1.716459 -0.347077
H 1.436766 0.040143 2.037320
H 3.714919 -1.351690 1.194838
H 2.781892 -1.956357 -1.332958
H 3.866201 0.713844 -1.744133
H 4.732078 -0.833909 -1.984862
H 2.873804 1.942567 1.851625
H 1.888726 -2.608649 1.863368
H 0.121020 -1.996960 0.293231
H 4.711268 0.633227 0.493396
H -1.315022 5.697784 -0.207008
H -2.328165 4.437705 0.629237
H -2.141839 4.388211 -1.159403
H -0.906330 -4.182861 0.005695
H -2.633166 -4.336502 0.305529


