%chk=000179361.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179361

0 1
S -2.138100 1.259391 -1.505424
S -3.499713 -0.759206 0.917505
P -1.936499 -0.175338 -0.003109
O -1.069126 -1.274512 -0.877645
O -0.710513 0.420287 0.937032
O 0.822524 2.504686 -2.327750
O 2.136575 -0.100652 2.670612
O 2.363155 -1.464613 0.915517
N 1.304070 0.374306 -1.641203
C 2.526597 0.797428 -0.923814
C -0.856203 0.831141 -2.720728
C 2.268951 0.974066 0.581017
C 0.468563 1.346247 -2.201752
C -0.983767 -2.648242 -0.359239
C -0.998708 0.861979 2.297004
C 0.330800 -3.159359 -0.908641
C -1.626768 2.240048 2.288814
C 2.266509 -0.326186 1.313280
H 3.317805 0.032791 -1.102129
H 2.888934 1.764849 -1.353684
H -1.128727 1.371004 -3.657258
H -0.853416 -0.248754 -2.979089
H 1.280440 1.483696 0.743171
H 3.012488 1.667474 1.030583
H 0.935823 -0.550248 -1.383482
H -1.858815 -3.184856 -0.776023
H -1.007978 -2.668602 0.744692
H 0.032992 0.869266 2.717842
H -1.606555 0.112877 2.837944
H 0.421712 -2.967891 -1.985742
H 1.195910 -2.679910 -0.415857
H 0.433159 -4.240959 -0.754606
H -1.189853 2.880759 1.508432
H -2.712192 2.215459 2.118554
H -1.470656 2.750608 3.248199
H 2.146882 -0.941332 3.200675


%chk=000179361-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179361

0 1
S -2.271021 1.277261 -1.489173
S -3.661552 -1.109605 0.963899
P -1.951820 -0.333648 0.105112
O -0.885892 -1.392712 -0.775933
O -0.761710 0.253597 1.243417
O 0.910005 2.671997 -2.428038
O 2.156261 -0.127662 2.705281
O 2.138161 -1.403917 0.770376
N 1.274061 0.556612 -1.497140
C 2.573215 0.902346 -0.909084
C -0.822775 0.959272 -2.692562
C 2.510443 1.040012 0.626656
C 0.524718 1.484484 -2.192367
C -0.704459 -2.792116 -0.258644
C -1.221554 0.965190 2.473449
C 0.241840 -3.486851 -1.230392
C -1.707352 2.385567 2.174346
C 2.247744 -0.282046 1.316881
H 3.315855 0.131590 -1.184532
H 2.879412 1.865408 -1.350912
H -1.122502 1.539463 -3.580394
H -0.816929 -0.117487 -2.916356
H 1.714702 1.747885 0.919606
H 3.461993 1.449723 1.017443
H 0.849181 -0.350309 -1.261585
H -1.699715 -3.272173 -0.218639
H -0.272243 -2.732848 0.755949
H -0.311670 0.965700 3.096958
H -2.007798 0.357954 2.962671
H -0.164244 -3.474168 -2.256438
H 1.232907 -3.004333 -1.217556
H 0.369386 -4.541159 -0.921756
H -0.953837 2.947338 1.596185
H -2.650484 2.382090 1.600212
H -1.888752 2.920692 3.125029
H 1.982727 -1.015444 3.121728


