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	hartrees
Energy at 0K	-828.975773
Energy at 298.15K	-828.975120
HF Energy	-828.777319
Nuclear repulsion energy	101.473907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	635	606	0.11
2	A₁	330	315	0.06
3	B₂	1076	1027	542.06

Atom	y (Å)	z (Å)
C1	0.000	0.496
S2	1.608	-0.093
S3	-1.608	-0.093

	C1	S2	S3
C1		1.7121	1.7121
S2	1.7121		3.2154
S3	1.7121	3.2154

All results from a given calculation for (Carbon disulfide)

using model chemistry: MP2=FULL/3-21G

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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