%chk=000181465.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181465

0 1
S -4.492976 1.426293 1.142298
O -1.321180 0.793564 -1.844132
O -5.057083 -2.401586 -1.647419
O -4.819002 -2.230514 0.576241
O 0.158125 3.266157 1.580667
O 2.022155 0.266349 1.895292
O 1.940335 -3.401313 0.598669
O 0.792462 -1.808463 1.509618
O 5.624039 -0.093108 -3.228299
O 4.885946 -2.126795 -3.111956
N -2.903410 -0.145150 -0.286234
N -0.449324 1.063847 1.320927
N 1.713484 -2.230836 0.827989
N 4.951947 -0.975168 -2.723255
C -2.925847 0.503299 1.064376
C -5.183131 0.804473 -0.477253
C -4.211660 -0.332779 -0.926318
C -1.698310 1.367492 0.645347
C -1.841269 0.712928 -0.779418
C -6.591539 0.329140 -0.197600
C -5.142165 1.960526 -1.458060
C -4.703517 -1.718944 -0.505518
C 0.410210 2.085039 1.713207
C 1.720548 1.610766 2.350708
C 2.692081 0.088790 0.725368
C 2.609251 -1.234955 0.215553
C 3.462712 1.067392 0.068512
C 3.367044 -1.587364 -0.910279
C 4.189643 0.716545 -1.058098
C 4.152734 -0.614209 -1.535114
H -2.808635 -0.192050 1.916773
H -4.088740 -0.326776 -2.049775
H -1.888636 2.473777 0.621307
H -6.644362 -0.389620 0.637490
H -7.040455 -0.155689 -1.076569
H -7.260140 1.158928 0.075901
H -5.604964 1.694020 -2.419417
H -4.122281 2.305645 -1.674976
H -5.691779 2.837577 -1.083583
H -0.204721 0.069765 1.463640
H -5.359957 -3.332708 -1.467031
H 2.545425 2.319801 2.159732
H 1.607368 1.457410 3.446664
H 3.489447 2.093087 0.442198
H 3.334295 -2.620732 -1.300051
H 4.803434 1.459147 -1.589422


%chk=000181465-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181465

0 1
S -4.547434 1.481988 1.175709
O -1.224231 0.430510 -1.865603
O -5.579312 -2.415128 -1.289695
O -4.669760 -2.207707 0.842173
O 0.038011 3.227554 1.848768
O 2.160801 0.257632 2.032094
O 2.147956 -3.442331 0.633982
O 0.617329 -1.857937 1.202202
O 5.609973 0.150279 -3.349280
O 4.806472 -1.988025 -3.304021
N -2.967764 -0.162501 -0.268019
N -0.362702 0.975886 1.314586
N 1.764857 -2.219718 0.721687
N 4.903413 -0.794258 -2.824785
C -2.923326 0.490668 1.061460
C -5.195610 0.806019 -0.539314
C -4.266014 -0.448970 -0.863535
C -1.599110 1.221924 0.606022
C -1.802702 0.475332 -0.766050
C -6.686354 0.453994 -0.380724
C -4.978027 1.888109 -1.618373
C -4.826342 -1.759443 -0.310360
C 0.381037 2.009231 1.843253
C 1.713864 1.589765 2.493713
C 2.764821 0.108959 0.794428
C 2.664471 -1.176242 0.178744
C 3.550495 1.103207 0.157364
C 3.378033 -1.492191 -0.988538
C 4.239692 0.813889 -1.030939
C 4.157085 -0.484322 -1.583552
H -2.855499 -0.188327 1.922353
H -4.163043 -0.541622 -1.957665
H -1.742457 2.311856 0.509729
H -6.853481 -0.246195 0.454989
H -7.072580 -0.000964 -1.311758
H -7.272260 1.367505 -0.178745
H -5.422701 1.565369 -2.580088
H -3.906029 2.094267 -1.782920
H -5.457704 2.833890 -1.314873
H 0.005418 0.011007 1.360304
H -5.956382 -3.258418 -0.916670
H 2.462671 2.378979 2.315202
H 1.579742 1.466622 3.580486
H 3.638704 2.100677 0.594699
H 3.313955 -2.487229 -1.436856
H 4.849624 1.569406 -1.532882


