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	hartrees
Energy at 0K	-834.450923
Energy at 298.15K
HF Energy	-834.450923
Nuclear repulsion energy	108.938020

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
S2	0.000	0.000	1.554
S3	0.000	0.000	-1.554

	C1	S2	S3
C1		1.5544	1.5544
S2	1.5544		3.1089
S3	1.5544	3.1089

Number	Element	Mulliken
1	C	0.016
2	S	-0.008
3	S	-0.008

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

All results from a given calculation for CS₂ (Carbon disulfide)

using model chemistry: B3PW91/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	96.186
(<r²>)^1/2	9.807

All results from a given calculation for CS2 (Carbon disulfide)

using model chemistry: B3PW91/cc-pVTZ

States and conformations

All results from a given calculation for CS₂ (Carbon disulfide)