%chk=000215553.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215553

0 1
S -1.170687 -1.886059 0.071716
P -2.183712 -0.086078 -0.213420
O 1.841714 -3.046695 -0.352219
O -3.653449 -0.440715 -0.845817
O -2.443790 0.291179 1.367656
O -1.456527 0.899726 -1.046738
N 2.176861 -0.801650 -0.231850
C 3.529488 -1.020738 0.356382
C 1.714907 0.604802 -0.338260
C 4.620957 -0.870035 -0.715630
C 1.371545 1.189150 1.042916
C 6.014758 -1.074372 -0.108217
C 0.763283 2.590368 0.907291
C 1.415243 -1.919157 -0.562432
C 0.079912 -1.713770 -1.246039
C 7.112168 -0.923794 -1.159093
C 0.648803 3.286822 2.261396
C -4.468169 -1.506151 -0.291476
C -2.628500 1.706855 1.659917
C -4.945007 -1.208102 1.115889
C -3.994524 2.194432 1.216152
H 3.567722 -2.047504 0.798098
H 3.689125 -0.302367 1.188556
H 0.829856 0.676206 -1.019459
H 2.519440 1.206550 -0.819134
H 4.449558 -1.606665 -1.526326
H 4.556815 0.124077 -1.196251
H 0.673704 0.519479 1.582625
H 2.282022 1.228769 1.672476
H 6.078733 -2.079705 0.354852
H 6.181903 -0.349717 0.712456
H -0.240945 2.519097 0.427793
H 1.373528 3.209288 0.220783
H 0.019570 -0.752671 -1.809933
H -0.082277 -2.526471 -1.988322
H 6.997496 -1.654691 -1.968408
H 8.104416 -1.076095 -0.719615
H 7.103513 0.072739 -1.614637
H 0.077156 2.688847 2.979867
H 0.153912 4.259701 2.166304
H 1.635404 3.466849 2.705051
H -3.929229 -2.469750 -0.369171
H -5.306331 -1.500813 -1.022459
H -1.794108 2.293637 1.211244
H -2.523701 1.699093 2.764308
H -4.170041 -1.383252 1.877961
H -5.248367 -0.150463 1.222969
H -5.808182 -1.829358 1.382418
H -4.021369 2.483438 0.155706
H -4.763765 1.412470 1.354821
H -4.310939 3.071267 1.793602


%chk=000215553-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215553

0 1
S -0.992377 -1.670374 0.691357
P -2.285455 0.094035 -0.011604
O 2.154540 -3.011753 -0.383364
O -3.653086 -0.534266 -0.869530
O -2.870676 0.614342 1.535966
O -1.539761 1.193206 -0.892637
N 2.328932 -0.713289 -0.068361
C 3.745340 -0.902723 0.338347
C 1.825328 0.680004 -0.104718
C 4.710018 -0.982515 -0.867418
C 1.490022 1.260800 1.290674
C 6.178428 -1.159023 -0.419872
C 1.054777 2.740835 1.195678
C 1.621603 -1.851722 -0.413280
C 0.157520 -1.726343 -0.847493
C 7.153299 -1.273563 -1.611415
C 0.689577 3.339864 2.571028
C -4.306267 -1.818811 -0.477398
C -3.130043 2.076977 1.740368
C -5.230799 -1.665140 0.732167
C -4.378954 2.553484 0.996222
H 3.813481 -1.839964 0.918591
H 4.025715 -0.060578 0.998378
H 0.928444 0.752620 -0.741746
H 2.606874 1.305842 -0.582039
H 4.407795 -1.837719 -1.500434
H 4.616399 -0.065349 -1.484579
H 0.680371 0.658255 1.745762
H 2.370450 1.173836 1.959684
H 6.258011 -2.068325 0.209790
H 6.476648 -0.305002 0.223060
H 0.189482 2.814125 0.506720
H 1.870963 3.338550 0.739494
H -0.060794 -0.835756 -1.459766
H -0.099239 -2.642760 -1.395385
H 6.893219 -2.137997 -2.250401
H 8.195974 -1.407226 -1.269194
H 7.118387 -0.366396 -2.243967
H -0.132611 2.770681 3.045527
H 0.367233 4.393781 2.480468
H 1.553289 3.310279 3.261852
H -3.519778 -2.577650 -0.296853
H -4.866092 -2.087906 -1.388353
H -2.232628 2.644873 1.432368
H -3.248181 2.144060 2.834329
H -4.666479 -1.399918 1.642342
H -5.987299 -0.882443 0.549120
H -5.758059 -2.620879 0.912312
H -4.243108 2.488112 -0.097707
H -5.260457 1.953900 1.280474
H -4.580081 3.610927 1.251733


