%chk=000256607.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256607

0 1
S -1.425140 1.700259 0.637663
S 2.680485 -2.524737 0.180211
O -1.042802 2.031978 1.995057
O -1.356608 2.690989 -0.412151
O 2.715487 -3.289525 1.412302
O 3.076656 -3.159754 -1.060765
N -0.359136 0.398024 0.252643
N 1.020378 -2.051950 0.051463
C -0.107525 -0.138942 -1.029112
C 0.572699 -1.390722 -1.150008
C -2.978227 0.964509 0.632929
C 3.498829 -1.028228 0.365097
C -0.520250 0.524244 -2.200590
C 0.796781 -1.942224 -2.418007
C -3.519650 0.474708 1.827719
C 3.784080 -0.541487 1.647192
C -3.712098 0.860504 -0.555422
C 3.878236 -0.287850 -0.761213
C -5.513559 -0.237761 0.644070
C 4.808487 1.431897 0.675776
C -0.289334 -0.047289 -3.451556
C 0.364064 -1.276872 -3.566542
C -4.778680 -0.124696 1.837014
C 4.434423 0.680715 1.805226
C -4.970629 0.262270 -0.554120
C 4.528896 0.935980 -0.610000
C -6.860883 -0.876273 0.637392
C 5.480678 2.751991 0.844676
H 0.209445 -0.014700 1.012475
H 0.305134 -2.676213 0.448628
H -0.980498 1.516858 -2.147867
H 1.332281 -2.895918 -2.509701
H -2.956274 0.569176 2.764177
H 3.500273 -1.125987 2.530609
H -3.301690 1.255381 -1.491685
H 3.668003 -0.670343 -1.766740
H -0.615521 0.480576 -4.348057
H 0.542656 -1.715420 -4.545571
H -5.191635 -0.502338 2.770879
H 4.648552 1.056513 2.804297
H -5.535564 0.183067 -1.481420
H 4.815331 1.509415 -1.489951
H -6.904015 -1.719108 -0.069485
H -7.157907 -1.268181 1.619796
H -7.639791 -0.161299 0.329525
H 6.085358 3.036806 -0.027409
H 4.733276 3.549775 0.989872
H 6.146526 2.776081 1.718882


%chk=000256607-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256607

0 1
S -0.458407 0.698252 0.325096
S 3.740321 -2.054115 -0.865930
O 0.205755 0.901728 1.799003
O -0.033229 1.622774 -0.951628
O 4.716129 -3.109362 -0.093334
O 3.902867 -1.737831 -2.458404
N -0.219945 -1.165923 -0.002793
N 1.876359 -2.850114 -0.530380
C -0.090567 -1.648709 -1.320960
C 0.969084 -2.586986 -1.596363
C -2.329081 0.831538 0.485684
C 3.683885 -0.438408 0.075148
C -1.029363 -1.340001 -2.339031
C 1.050038 -3.191047 -2.880127
C -2.937075 0.313986 1.638756
C 4.022507 -0.463129 1.438459
C -3.033759 1.490972 -0.534314
C 3.287603 0.720466 -0.611586
C -5.102344 1.104122 0.754915
C 3.513096 1.948654 1.515308
C -0.917474 -1.938987 -3.608372
C 0.115479 -2.871422 -3.883296
C -4.337712 0.455203 1.760026
C 3.939103 0.751845 2.150194
C -4.431124 1.621208 -0.386158
C 3.208674 1.918341 0.129724
C -6.605676 1.256288 0.895385
C 3.325608 3.221847 2.314237
H 0.575145 -1.471471 0.598504
H 2.195850 -3.839040 -0.497897
H -1.849521 -0.647393 -2.128098
H 1.867683 -3.890976 -3.085161
H -2.342067 -0.172140 2.417826
H 4.349195 -1.392788 1.914997
H -2.499157 1.904449 -1.396084
H 3.049301 0.692057 -1.678782
H -1.644847 -1.686341 -4.387552
H 0.192751 -3.331438 -4.873385
H -4.840405 0.057189 2.648437
H 4.188816 0.765416 3.217159
H -5.006770 2.135275 -1.164667
H 2.872383 2.830637 -0.373220
H -7.134921 0.807056 0.034838
H -6.980056 0.772262 1.812728
H -6.896164 2.322811 0.933770
H 3.522969 4.121096 1.705264
H 2.278149 3.283718 2.668064
H 3.980512 3.252329 3.202196


