%chk=000267963.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267963

0 1
S -0.002082 -4.081834 -0.041673
P 3.295200 1.764087 0.441749
P -3.294380 1.774253 -0.423799
O 3.984819 0.244656 0.288836
O -3.985379 0.253010 -0.297427
O 4.647022 2.605380 0.746070
O 2.991585 2.118749 -1.125208
O -4.645412 2.621947 -0.713533
O -2.990651 2.101209 1.149148
O 2.203269 1.907734 1.414868
O -2.202253 1.933873 -1.394196
C 3.089853 -0.816870 0.262679
C -3.091326 -0.809571 -0.289536
C 1.312074 -2.905526 0.111758
C -1.315278 -2.901982 -0.174717
C 2.393137 -1.189879 1.421854
C -2.395057 -1.163218 -1.455034
C 2.976044 -1.518267 -0.947158
C -2.977971 -1.531724 0.908060
C 1.492410 -2.252523 1.334545
C -1.495220 -2.227952 -1.386097
C 2.069996 -2.578549 -1.015565
C -2.072799 -2.593777 0.958143
C 5.737869 2.457640 -0.229813
C 1.612183 2.422478 -1.504405
C -5.736520 2.458181 0.259488
C -1.611091 2.397297 1.533767
C 6.732395 3.513612 0.207836
C 0.773998 1.169699 -1.603618
C -6.729879 3.522766 -0.159554
C -0.773671 1.142450 1.610845
H 2.534011 -0.649573 2.358898
H -2.535604 -0.606786 -2.382640
H 3.574937 -1.220390 -1.805747
H -3.576524 -1.248144 1.771712
H 0.922104 -2.553046 2.215744
H -0.925288 -2.513815 -2.272401
H 1.946325 -3.130013 -1.949437
H -1.949493 -3.161292 1.882395
H 5.350700 2.639210 -1.251263
H 6.141337 1.430139 -0.135455
H 1.780681 2.893419 -2.495400
H 1.186070 3.167636 -0.806384
H -5.349294 2.621273 1.284027
H -6.141056 1.432932 0.146957
H -1.779390 2.850712 2.532939
H -1.184475 3.154461 0.849103
H 6.311792 4.524082 0.112392
H 6.996884 3.387736 1.268445
H 7.654759 3.467852 -0.381503
H 1.278885 0.371809 -2.158708
H 0.473234 0.766728 -0.619314
H -0.183911 1.388518 -2.118185
H -6.308299 4.530957 -0.046063
H -6.994218 3.416023 -1.222298
H -7.652442 3.467455 0.428653
H -1.278932 0.335275 2.151997
H -0.473368 0.756558 0.619576
H 0.184495 1.351631 2.128947


%chk=000267963-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267963

0 1
S -0.002782 -4.199728 0.049607
P 3.680364 1.833892 0.400818
P -3.685075 1.822040 -0.458187
O 4.216863 0.160394 0.422772
O -4.224378 0.149916 -0.412733
O 5.196910 2.591577 0.540094
O 3.205867 2.049616 -1.244030
O -5.202383 2.577627 -0.598136
O -3.179380 2.092658 1.168663
O 2.615272 2.285185 1.486177
O -2.638081 2.229798 -1.577961
C 3.257372 -0.892096 0.393385
C -3.264556 -0.901645 -0.361886
C 1.359089 -2.952469 0.239019
C -1.366523 -2.958749 -0.165443
C 2.239485 -0.968204 1.372470
C -2.251673 -1.003218 -1.344055
C 3.373693 -1.862586 -0.623057
C -3.376358 -1.846412 0.679028
C 1.291938 -2.007751 1.289564
C -1.304045 -2.040596 -1.239508
C 2.416480 -2.901169 -0.697518
C -2.419262 -2.883429 0.774612
C 6.295109 2.275570 -0.438052
C 1.836448 2.603346 -1.543590
C -6.282425 2.303256 0.412186
C -1.806985 2.659627 1.430060
C 7.450182 3.198230 -0.068118
C 0.842882 1.478827 -1.822578
C -7.448325 3.202268 0.018719
C -0.858317 1.561977 1.903012
H 2.184429 -0.218434 2.167592
H -2.200547 -0.274664 -2.158954
H 4.179615 -1.779992 -1.358048
H -4.178476 -1.744833 1.415800
H 0.484090 -2.068501 2.025643
H -0.499750 -2.120092 -1.977676
H 2.469815 -3.639604 -1.503808
H -2.469070 -3.601468 1.599325
H 5.918796 2.462695 -1.460615
H 6.556635 1.208340 -0.327393
H 2.009120 3.235006 -2.430405
H 1.513243 3.235195 -0.695518
H -5.889834 2.540330 1.418104
H -6.540466 1.230857 0.356786
H -1.983572 3.419743 2.209104
H -1.441382 3.151404 0.509647
H 7.151777 4.255917 -0.160065
H 7.778280 3.014345 0.968536
H 8.304729 3.012980 -0.745304
H 1.181549 0.858624 -2.670585
H 0.718822 0.828126 -0.938816
H -0.149705 1.904629 -2.065331
H -7.153134 4.264289 0.053217
H -7.794470 2.966540 -1.001424
H -8.289429 3.047354 0.719934
H -1.234645 1.090568 2.827208
H -0.739476 0.779750 1.132288
H 0.142457 1.991837 2.100721


