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	hartrees
Energy at 0K	-1354.769719
Energy at 298.15K	-1354.770063
HF Energy	-1354.299309
Nuclear repulsion energy	245.811609

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1235	1143	325.59
2	A₁	541	501	17.18
3	A₁	316	293	0.20
4	B₁	513	475	0.46
5	B₂	899	832	225.86
6	B₂	329	304	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.131
S2	0.000	1.728
Cl3	1.430	-0.837
Cl4	-1.430	-0.837

	C1	S2	Cl3	Cl4
C1		1.5971	1.7269	1.7269
S2	1.5971		2.9368	2.9368
Cl3	1.7269	2.9368		2.8603
Cl4	1.7269	2.9368	2.8603

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	C1	Cl3	124.090		S2	C1	Cl4	124.090
Cl3	C1	Cl4	111.819

All results from a given calculation for Cl₂CS (Thiophosgene)

using model chemistry: CISD/6-31G*

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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All results from a given calculation for Cl2CS (Thiophosgene)

using model chemistry: CISD/6-31G*

States and conformations

All results from a given calculation for Cl₂CS (Thiophosgene)