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	hartrees
Energy at 0K	-1348.024922
Energy at 298.15K	-1348.024871
HF Energy	-1347.741752
Nuclear repulsion energy	232.197358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1058	1025	214.45
2	A₁	412	399	19.00
3	A₁	259	251	1.14
4	B₁	418	405	0.85
5	B₂	685	664	206.44
6	B₂	278	270	0.02

Atom	y (Å)	z (Å)
C1	0.000	0.176
S2	0.000	1.824
Cl3	1.515	-0.889
Cl4	-1.515	-0.889

	C1	S2	Cl3	Cl4
C1		1.6476	1.8526	1.8526
S2	1.6476		3.1079	3.1079
Cl3	1.8526	3.1079		3.0304
Cl4	1.8526	3.1079	3.0304

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	C1	Cl3	125.126		S2	C1	Cl4	125.126
Cl3	C1	Cl4	109.748

All results from a given calculation for Cl₂CS (Thiophosgene)

using model chemistry: QCISD/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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All results from a given calculation for Cl2CS (Thiophosgene)

using model chemistry: QCISD/3-21G

States and conformations

All results from a given calculation for Cl₂CS (Thiophosgene)