%chk=000243569.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243569

0 1
S 0.850642 -3.363663 -0.163440
S 2.835773 0.366509 0.109225
O 0.572392 -2.242363 1.098570
O 1.628319 1.156117 1.018764
O -2.138180 -1.196535 -0.618805
O -1.386066 3.054472 0.768033
O -0.002770 -4.485810 0.118257
O 2.290516 -3.482974 -0.065056
O 3.907447 1.320397 -0.014395
O 2.137130 -0.045586 -1.095859
N -2.985401 0.612371 0.477743
N -1.737991 2.491657 -1.411176
C -3.709519 1.074321 -0.730036
C -3.203880 2.454140 -1.208956
C -1.189452 -0.690645 1.548767
C 0.579849 2.671843 -0.587287
C -2.106167 -0.470686 0.369333
C -0.904363 2.745695 -0.314736
C -0.733810 -2.145060 1.682887
C 1.377244 2.532948 0.714172
C 0.388904 -2.529995 -1.578377
C 3.197022 -0.927828 1.153341
H -4.794748 1.138762 -0.486759
H -3.609739 0.308947 -1.538949
H -3.704495 2.727820 -2.163664
H -3.479135 3.239863 -0.461394
H -0.279673 -0.038878 1.419951
H -1.645772 -0.347284 2.498910
H 0.827949 1.826347 -1.274943
H 0.897761 3.587086 -1.132701
H -2.830440 1.335973 1.189872
H -1.385451 2.044894 -2.252016
H -1.438804 -2.858824 1.211253
H -0.587325 -2.422411 2.745473
H 0.791963 2.879005 1.596395
H 2.339131 3.080623 0.664937
H 0.986203 -1.600598 -1.761693
H 0.467546 -3.108647 -2.508019
H -0.663836 -2.155708 -1.557340
H 3.403264 -1.904665 0.637949
H 4.056539 -0.768014 1.820196
H 2.347528 -1.222418 1.814670


%chk=000243569-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243569

0 1
S 0.630419 -3.615624 -0.182293
S 2.548521 0.631705 -0.220271
O 0.323900 -2.241572 1.101999
O 1.492790 1.418230 1.127718
O -2.491196 -1.767807 -0.357432
O -1.426253 3.073435 0.988519
O -0.317941 -4.877849 0.174032
O 2.242254 -3.759926 -0.192379
O 3.757563 1.659573 -0.560659
O 1.570340 0.159530 -1.429938
N -2.614442 0.476187 0.212531
N -1.312785 2.657172 -1.294168
C -3.104038 0.877541 -1.115850
C -2.751149 2.352078 -1.404966
C -1.689342 -1.090628 1.873302
C 0.721710 3.447506 -0.138073
C -2.294729 -0.829908 0.487211
C -0.749418 3.037474 -0.094424
C -0.902901 -2.406928 1.913028
C 1.501596 2.895323 1.065300
C 0.047883 -2.740201 -1.761959
C 3.124920 -0.835753 0.821639
H -4.204436 0.757274 -1.187787
H -2.659009 0.197497 -1.865062
H -3.094421 2.611006 -2.422217
H -3.275460 3.009306 -0.688197
H -1.039035 -0.247987 2.172783
H -2.508513 -1.156172 2.618236
H 1.207010 3.146631 -1.084627
H 0.764904 4.553982 -0.090232
H -2.373075 1.231169 0.871440
H -0.700824 2.480583 -2.093416
H -1.508775 -3.239740 1.505920
H -0.594092 -2.657088 2.944318
H 1.000800 3.172531 2.009944
H 2.542160 3.270535 1.058958
H 0.634972 -1.808125 -1.802919
H 0.267451 -3.437870 -2.582905
H -1.024444 -2.552343 -1.593860
H 3.621979 -1.534555 0.134443
H 3.795970 -0.403211 1.574942
H 2.205244 -1.271783 1.240470


