%chk=000268018.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268018

0 1
S -3.272491 -0.098698 0.045900
S 3.363680 0.075233 -0.023028
O 1.749243 -0.433380 -0.104494
O -4.109595 1.073271 0.929779
O -3.161968 -1.245535 0.900361
O -3.967442 -0.195277 -1.206518
O 3.479980 0.832667 1.193697
O 3.656361 0.701705 -1.282073
C -0.578538 -0.176721 -0.076179
C -1.767605 0.776353 -0.105027
C 0.743784 0.598429 -0.088321
C 4.097226 -1.486707 0.108094
H -0.592595 -0.871864 -0.943976
H -0.607044 -0.832651 0.825193
H -1.748727 1.388323 -1.035856
H -1.672431 1.537422 0.706385
H 0.877671 1.216241 0.820925
H 0.860522 1.217881 -0.997890
H 3.755167 -2.055042 0.990229
H 3.887473 -2.139545 -0.756659
H 5.195311 -1.450859 0.189359
H -5.057383 0.939753 1.057299


%chk=000268018-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268018

0 1
S -3.417561 -0.133615 0.134697
S 3.523304 0.121443 -0.059782
O 1.758127 -0.522676 -0.181341
O -4.370487 1.407285 0.567171
O -3.445487 -1.177492 1.368962
O -3.834224 -0.636499 -1.345527
O 3.694233 0.887920 1.356429
O 3.929376 0.869091 -1.435036
C -0.599965 -0.199538 -0.033764
C -1.742899 0.809634 0.100775
C 0.748727 0.547959 -0.049033
C 4.270857 -1.617705 0.004362
H -0.699613 -0.779136 -0.969077
H -0.610644 -0.907299 0.814200
H -1.863240 1.491381 -0.755483
H -1.752570 1.360038 1.054660
H 0.908072 1.106396 0.894560
H 0.812519 1.241344 -0.910092
H 3.870678 -2.085499 0.912584
H 3.937106 -2.121212 -0.911958
H 5.359830 -1.477350 0.039735
H -5.345542 1.186529 0.550158


