%chk=000186498.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186498

0 1
S -0.797262 0.701698 0.545200
O 1.876617 -2.666776 -1.312286
O -0.490858 2.090661 0.829322
O -0.435005 -0.331682 1.497977
N -0.063075 0.343953 -0.980145
C 0.803971 -2.005843 -0.563253
C -0.058749 -1.073791 -1.401576
C 0.765672 -3.485193 -0.825817
C 1.145028 1.134917 -1.337835
C -2.483218 0.534711 0.180629
C 2.347230 0.922726 -0.445734
C -3.201166 -0.543621 0.708355
C -3.125707 1.485224 -0.617297
C 2.534827 1.740200 0.678648
C 3.294774 -0.063375 -0.752921
C -4.563353 -0.678545 0.427671
C -4.489308 1.351201 -0.899718
C 3.664524 1.575112 1.483728
C 4.423428 -0.226141 0.055490
C -5.205846 0.269382 -0.377572
C 4.611916 0.594261 1.172126
H 1.114027 -1.633548 0.426908
H -1.114530 -1.436350 -1.401979
H 0.281492 -1.129573 -2.466567
H 1.039697 -4.190563 -0.043900
H 0.144972 -3.905438 -1.611700
H 0.842904 2.213498 -1.318706
H 1.411121 0.913822 -2.398022
H -2.697459 -1.277819 1.349074
H -2.569437 2.338141 -1.018262
H 1.786649 2.498551 0.934509
H 3.146376 -0.722200 -1.611001
H -5.124580 -1.516060 0.839405
H -4.991634 2.091087 -1.521225
H 3.803018 2.209366 2.357528
H 5.152564 -0.997957 -0.184546
H -6.269641 0.165474 -0.595727
H 5.491119 0.466790 1.800121


%chk=000186498-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186498

0 1
S -0.909301 0.825460 0.610066
O 2.067852 -2.542286 -1.220122
O -0.616842 2.421997 0.771002
O -0.618989 -0.218792 1.837576
N -0.057601 0.326751 -0.983787
C 0.887932 -2.024370 -0.420807
C -0.093445 -1.138775 -1.188666
C 0.970919 -3.477510 -0.775120
C 1.175654 1.129132 -1.270131
C -2.720786 0.585422 0.119577
C 2.442955 0.884830 -0.451186
C -3.416944 -0.477390 0.715709
C -3.300083 1.508652 -0.766095
C 2.602565 1.504345 0.817544
C 3.496598 0.087081 -0.962677
C -4.783537 -0.632915 0.382343
C -4.666289 1.336003 -1.085830
C 3.786746 1.313943 1.562271
C 4.684250 -0.098616 -0.220725
C -5.401398 0.267650 -0.516472
C 4.832179 0.512656 1.045172
H 1.137222 -1.711296 0.599338
H -1.128665 -1.467262 -0.966289
H 0.065611 -1.305695 -2.272950
H 1.261222 -4.203727 -0.006855
H 0.346762 -3.871760 -1.589571
H 0.863435 2.183782 -1.168388
H 1.368788 0.936487 -2.343872
H -2.908634 -1.135418 1.428652
H -2.712269 2.334299 -1.178575
H 1.798979 2.137236 1.212559
H 3.386652 -0.402324 -1.936935
H -5.360732 -1.449203 0.828756
H -5.154339 2.035326 -1.772488
H 3.896253 1.795545 2.540492
H 5.486022 -0.724730 -0.627332
H -6.460246 0.143295 -0.767853
H 5.752602 0.368475 1.622573


