%chk=000298820.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298820

0 1
S 3.045113 1.986369 0.380588
P 1.729684 0.644224 0.138636
O 0.709138 0.569162 1.457267
O 0.736026 1.012997 -1.150790
C -1.328746 0.461939 0.076060
C -2.759916 -0.153340 -0.043404
C -0.542635 -0.121971 1.260173
C -0.517069 0.299829 -1.218522
C -3.510095 0.529413 -1.203173
C -2.695728 -1.669023 -0.300591
C -3.535583 0.110120 1.261557
C 2.292017 -1.134263 -0.158283
C 3.086906 -1.578640 1.061258
C 3.113680 -1.152620 -1.439355
H -1.449532 1.564266 0.262390
H -1.051244 0.074646 2.228156
H -0.360040 -1.207993 1.169607
H -0.332624 -0.755646 -1.488589
H -1.006834 0.807249 -2.076999
H -3.059574 0.311826 -2.176549
H -4.551644 0.191498 -1.253858
H -3.532807 1.618759 -1.085894
H -2.193026 -2.203946 0.510772
H -2.174859 -1.907315 -1.232833
H -3.703644 -2.094120 -0.383411
H -3.559783 1.177064 1.510535
H -4.576740 -0.222120 1.176773
H -3.103890 -0.418477 2.117128
H 1.399786 -1.795143 -0.280425
H 3.417448 -2.620536 0.947597
H 4.004597 -0.987151 1.214121
H 2.508889 -1.529139 1.994844
H 3.444166 -2.174773 -1.671058
H 4.032976 -0.548308 -1.368038
H 2.555588 -0.793336 -2.315488


%chk=000298820-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298820

0 1
S 3.194724 2.132875 0.337702
P 1.812362 0.641403 0.110335
O 0.701095 0.513772 1.474007
O 0.724092 0.906953 -1.252023
C -1.380159 0.401679 0.046892
C -2.862169 -0.135514 -0.050544
C -0.601205 -0.178289 1.251165
C -0.568899 0.163817 -1.248792
C -3.621211 0.649989 -1.158203
C -2.918359 -1.654412 -0.379179
C -3.601113 0.114378 1.295586
C 2.489952 -1.117308 -0.133381
C 3.299901 -1.528539 1.114281
C 3.315651 -1.172966 -1.435767
H -1.436950 1.499443 0.197693
H -1.128397 -0.010884 2.202165
H -0.425167 -1.267862 1.124260
H -0.373603 -0.918631 -1.402309
H -1.081450 0.561615 -2.137771
H -3.207878 0.466952 -2.166337
H -4.683013 0.342203 -1.179464
H -3.587473 1.738988 -0.967405
H -2.382580 -2.261113 0.374368
H -2.488967 -1.880730 -1.372615
H -3.969857 -1.996177 -0.390864
H -3.485284 1.162978 1.628553
H -4.681992 -0.083980 1.173302
H -3.238485 -0.545682 2.104210
H 1.594805 -1.763947 -0.228919
H 3.665457 -2.564465 0.988934
H 4.173739 -0.865482 1.245514
H 2.691643 -1.480221 2.034694
H 3.688239 -2.202526 -1.589667
H 4.185675 -0.494917 -1.373418
H 2.716875 -0.881898 -2.316798


