%chk=000207860.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207860

0 1
S 1.695963 -1.209628 -0.003910
S -3.468887 1.617358 -0.723886
P -2.454885 0.101706 -0.234625
O -0.805917 0.174078 -0.581727
O 3.066156 -1.403010 0.440752
O 0.647833 -2.042925 0.563405
O -2.562794 -0.280389 1.335908
O -2.684119 -1.317140 -1.031934
N 1.706021 -1.460313 -1.702543
C 1.326451 0.460887 0.296311
C 0.067559 1.023968 0.056937
C 2.321168 1.275524 0.857000
C -0.221117 2.365182 0.352437
C 0.390408 -1.545722 -2.374840
C 2.716696 -0.675058 -2.448131
C 2.058746 2.609384 1.164471
C 0.787889 3.147346 0.913305
C -2.121415 -1.617376 1.724624
C -3.296166 -1.223144 -2.343784
H 3.314513 0.849522 1.060496
H -1.195633 2.812646 0.145269
H -0.327654 -2.095947 -1.731778
H 0.497991 -2.123600 -3.308947
H -0.048650 -0.563839 -2.620453
H 2.479791 0.397043 -2.538049
H 2.824481 -1.085614 -3.467985
H 3.703825 -0.789975 -1.958433
H 2.835927 3.232381 1.603553
H 0.583959 4.193142 1.155548
H -2.252865 -1.585203 2.814527
H -1.056746 -1.786687 1.469809
H -2.765766 -2.380533 1.275031
H -3.358363 -2.284184 -2.633913
H -2.654693 -0.675937 -3.044663
H -4.303907 -0.788742 -2.290478


%chk=000207860-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207860

0 1
S 1.839852 -1.208861 -0.001369
S -3.734288 1.833479 -0.487669
P -2.591821 0.161004 -0.141795
O -0.852091 0.256125 -0.535543
O 3.394445 -1.299598 0.462221
O 0.719193 -2.189024 0.649174
O -2.665451 -0.429904 1.449484
O -2.893680 -1.245055 -1.090976
N 1.878842 -1.612612 -1.835801
C 1.368560 0.627392 0.332380
C 0.066951 1.119946 0.094873
C 2.386637 1.429812 0.874454
C -0.219833 2.468487 0.416576
C 0.541270 -1.839155 -2.423065
C 2.768884 -0.679970 -2.561324
C 2.093105 2.772901 1.199522
C 0.792814 3.280265 0.972634
C -2.199449 -1.815216 1.797849
C -3.442878 -1.101481 -2.458796
H 3.373732 0.987934 1.048486
H -1.221687 2.867146 0.228011
H -0.106012 -2.325254 -1.675030
H 0.677138 -2.534284 -3.272664
H 0.048515 -0.909500 -2.777232
H 2.315306 0.317927 -2.753877
H 3.009092 -1.150148 -3.532022
H 3.709969 -0.565710 -1.998310
H 2.871028 3.411085 1.629491
H 0.561401 4.320848 1.223829
H -2.273798 -1.832516 2.894834
H -1.159064 -1.974592 1.465309
H -2.881602 -2.550793 1.342020
H -3.864872 -2.089303 -2.694475
H -2.633560 -0.849047 -3.165956
H -4.230845 -0.327127 -2.485937


