%chk=000269618.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269618

0 1
S 4.299976 0.908307 0.567039
O -0.874503 2.254629 0.196450
C -2.162509 0.273050 0.040471
C -0.879404 1.045010 0.071274
C 2.827142 0.122159 0.047082
C -2.273479 -0.983106 0.652067
C -3.275692 0.846337 -0.591620
C 0.372165 0.260529 -0.081104
C 1.568645 0.816142 0.180071
C -3.491219 -1.667737 0.619158
C -4.489152 0.154307 -0.630804
C 3.120214 -1.123047 -0.444639
C -4.596673 -1.102277 -0.026250
C 4.525508 -1.440378 -0.400011
C 5.292620 -0.442144 0.122547
H -1.417214 -1.422733 1.163558
H -3.187035 1.836822 -1.043686
H 0.263813 -0.765601 -0.427358
H 1.617184 1.864864 0.519264
H 2.390876 -1.818814 -0.837869
H -3.580061 -2.641504 1.097735
H -5.351400 0.597356 -1.126715
H -5.543604 -1.640291 -0.054213
H 4.904019 -2.389943 -0.755977
H 6.359883 -0.425836 0.266829


%chk=000269618-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269618

0 1
S 4.394199 1.177530 -0.117600
O -0.837686 2.186002 -0.229524
C -2.195192 0.198223 -0.076617
C -0.868421 0.911916 -0.129787
C 2.902049 0.133593 -0.056787
C -2.331537 -1.207361 0.090390
C -3.370890 0.989709 -0.195911
C 0.386562 0.124114 -0.068708
C 1.603584 0.764355 -0.103588
C -3.610952 -1.802769 0.136024
C -4.646841 0.396228 -0.152616
C 3.270216 -1.215905 0.032812
C -4.771738 -1.004761 0.013690
C 4.684993 -1.440426 0.054402
C 5.432852 -0.268820 -0.018031
H -1.450952 -1.849291 0.191637
H -3.245962 2.070441 -0.320329
H 0.333721 -0.966574 -0.002201
H 1.561346 1.861238 -0.174384
H 2.536054 -2.023801 0.081719
H -3.703080 -2.886594 0.267114
H -5.543334 1.018708 -0.247182
H -5.763607 -1.469320 0.048392
H 5.139978 -2.431289 0.121105
H 6.514738 -0.149045 -0.020721


