%chk=000281401.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281401

0 1
S -5.664211 1.123362 -1.889938
O -6.723890 0.254499 -1.462086
O -5.830070 1.943307 -3.072363
O 6.795638 1.822490 2.355023
O 3.938565 -2.101276 -1.994714
O 0.573646 -4.117856 -0.357432
N -5.434064 2.381577 -0.687815
N 2.809327 -1.089687 -0.251061
N 0.441373 -1.663364 -1.616137
N -0.559539 -1.867155 -2.323042
N -4.819751 0.849662 1.010848
N -5.143041 3.232073 1.515350
C -4.168187 0.288015 -1.974453
C 1.601252 -2.551751 -1.874148
C -3.973259 -0.875341 -1.219464
C -3.150153 0.767418 -2.809895
C -1.747331 -1.069014 -2.125550
C -2.758928 -1.561747 -1.286141
C -1.931097 0.096757 -2.891285
C 3.896527 -0.364529 0.351993
C 2.903107 -1.870460 -1.392915
C 1.454142 -3.919695 -1.152427
C 5.211940 -0.434970 -0.126974
C 3.586929 0.432678 1.480172
C -5.133057 2.149177 0.647832
C 5.911656 1.066171 1.626185
C 6.228043 0.282819 0.510937
C 4.588391 1.146356 2.118358
C 2.481118 -4.922666 -1.552235
C -4.523669 0.627372 2.323464
C 8.201572 1.831045 1.941927
C -4.525578 1.679094 3.261714
C -4.838207 2.968168 2.809029
C -4.205534 -0.773169 2.719425
C 8.848873 2.754698 2.954276
H 1.744737 -2.762318 -2.976361
H -4.776514 -1.248734 -0.568007
H -3.311595 1.672072 -3.410160
H -2.599450 -2.467490 -0.700033
H -1.137469 0.465676 -3.539464
H -5.652810 3.365002 -0.932860
H 1.884170 -0.932074 0.167809
H 5.454265 -1.048778 -1.003136
H 2.564450 0.490342 1.852937
H 7.241916 0.218533 0.127814
H 4.381680 1.767628 2.988278
H 3.466105 -4.476279 -1.780836
H 2.635260 -5.676271 -0.763079
H 2.170297 -5.474234 -2.453815
H 8.258878 2.217837 0.910134
H 8.586247 0.798328 1.995834
H -4.295373 1.495168 4.304734
H -4.851471 3.829304 3.490778
H -5.062807 -1.233050 3.238560
H -3.980277 -1.415223 1.852585
H -3.343180 -0.822006 3.399348
H 9.923662 2.861140 2.768938
H 8.714301 2.380568 3.979159
H 8.396744 3.756400 2.926688


%chk=000281401-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281401

0 1
S -5.811949 0.210854 -0.993533
O -6.327174 -0.677086 0.255761
O -6.713775 0.396160 -2.333184
O 5.942701 1.454333 2.996558
O 4.152923 -2.066141 -2.447541
O 1.060967 -4.717247 -1.483388
N -5.545466 1.976573 -0.517200
N 2.716952 -1.336953 -0.718276
N 0.527669 -2.041865 -1.989336
N -0.393936 -1.818190 -2.872452
N -4.163888 1.501780 1.339246
N -5.273155 3.670692 1.062900
C -4.095332 -0.378236 -1.512824
C 1.758836 -2.614113 -2.572722
C -3.284159 -1.011092 -0.554944
C -3.755270 -0.219066 -2.865480
C -1.637242 -1.327640 -2.336318
C -2.032549 -1.494179 -0.979269
C -2.501773 -0.714797 -3.279071
C 3.597136 -0.651765 0.166417
C 3.009744 -1.964007 -1.907243
C 1.815989 -4.165073 -2.315624
C 4.990344 -0.531160 -0.063047
C 3.030111 -0.066513 1.332413
C -4.975548 2.384499 0.684676
C 5.230688 0.744726 2.019413
C 5.801704 0.163276 0.860102
C 3.836059 0.624210 2.249447
C 2.838820 -4.897643 -3.158058
C -3.590695 1.938669 2.503706
C 7.400498 1.607178 2.811279
C -3.819893 3.257446 2.974524
C -4.667505 4.090161 2.208733
C -2.723619 0.949246 3.243265
C 7.915508 2.408018 4.003879
H 1.825526 -2.446559 -3.665434
H -3.634311 -1.115086 0.475327
H -4.456130 0.246810 -3.564715
H -1.364799 -2.018754 -0.289713
H -2.175747 -0.637778 -4.320532
H -6.230359 2.600285 -0.963000
H 1.711588 -1.357122 -0.484177
H 5.427333 -0.978300 -0.958139
H 1.952670 -0.154512 1.519714
H 6.874091 0.240316 0.659415
H 3.410902 1.077720 3.149547
H 3.786599 -4.330600 -3.196592
H 2.999964 -5.911544 -2.760688
H 2.466468 -4.975437 -4.198451
H 7.596538 2.135698 1.855638
H 7.872235 0.604051 2.764942
H -3.361345 3.615387 3.898892
H -4.885233 5.119004 2.514907
H -3.342191 0.118259 3.629433
H -1.978456 0.507197 2.558422
H -2.199838 1.420014 4.090844
H 9.007830 2.553324 3.919768
H 7.704525 1.878988 4.948767
H 7.432722 3.399188 4.045319


