%chk=000104187.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000104187

0 1
S 2.481274 2.722619 0.663456
O 1.859195 3.074613 2.192331
O -2.646512 1.814584 -0.826250
O 3.904459 2.623356 0.873135
O 1.955292 3.782236 -0.186806
O -4.374484 1.207806 1.505994
N 2.701614 -2.396216 0.530253
N -0.053349 2.188563 -0.967807
C -0.260124 -0.140441 -0.171893
C 0.548756 -1.297760 0.010924
C -1.671695 -0.312243 -0.209030
C 1.952518 -1.164126 0.352771
C 0.452255 1.152627 -0.253476
C 1.737445 1.256320 0.317751
C -2.231982 -1.597652 -0.223275
C 2.486725 0.076157 0.581614
C -0.037194 -2.592481 -0.080043
C -1.395954 -2.741936 -0.221730
C -2.684423 0.792931 -0.183348
C -3.691426 -1.802681 -0.167784
C 3.515649 -2.733112 -0.687021
C -3.954836 0.468660 0.660704
C -4.520049 -0.840687 0.262471
C 4.421089 -3.923039 -0.382579
H 3.519082 0.182860 0.940129
H 0.620177 -3.468743 -0.003913
H -1.840366 -3.735922 -0.294420
H 3.308521 -2.329473 1.356955
H -4.058788 -2.791445 -0.457139
H 2.803613 -2.987526 -1.503745
H 4.120649 -1.872625 -1.048951
H -0.981072 2.165731 -1.401536
H 0.421855 3.112276 -1.002839
H -5.596567 -0.961857 0.375077
H 5.202034 -3.674378 0.345273
H 3.850063 -4.767162 0.027450
H 4.921819 -4.276119 -1.291807
H 2.304737 3.774984 2.687603


%chk=000104187-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104187

0 1
S 2.655142 2.988929 0.740706
O 2.184746 3.126228 2.546538
O -2.545859 1.736908 -1.157214
O 4.258818 2.809427 0.634560
O 1.947230 4.243012 -0.030774
O -5.061924 1.199406 -0.238585
N 2.979580 -2.175475 0.373281
N -0.264127 2.492683 -0.169338
C -0.185823 -0.021843 -0.025242
C 0.714637 -1.158533 0.172250
C -1.620598 -0.315884 -0.158108
C 2.149009 -1.016126 0.318641
C 0.419677 1.331373 0.052595
C 1.808373 1.373760 0.392485
C -2.088612 -1.665294 0.004084
C 2.670959 0.264216 0.488376
C 0.189682 -2.481340 0.291924
C -1.171285 -2.731434 0.224481
C -2.710548 0.635099 -0.548283
C -3.508110 -2.039218 -0.016686
C 3.241240 -2.937273 -0.881708
C -4.211427 0.266442 -0.289365
C -4.539037 -1.147477 -0.137028
C 3.980965 -4.249213 -0.573549
H 3.740818 0.432685 0.653850
H 0.903785 -3.280093 0.511853
H -1.557489 -3.747251 0.360453
H 3.838907 -2.027936 0.915663
H -3.723941 -3.106089 0.118433
H 2.272616 -3.152452 -1.367688
H 3.830154 -2.329404 -1.605363
H -1.184938 2.452575 -0.637366
H 0.249840 3.384945 -0.136599
H -5.592238 -1.437958 -0.086383
H 4.957413 -4.054042 -0.090548
H 3.386611 -4.885487 0.105713
H 4.175787 -4.811437 -1.503972
H 2.499967 4.022270 2.866412


