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	hartrees
Energy at 0K	-1355.161542
Energy at 298.15K	-1355.161821
HF Energy	-1354.424563
Nuclear repulsion energy	245.286851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1209	1128	257.91
2	A₁	519	485	18.24
3	A₁	299	279	0.10
4	B₁	490	457	0.83
5	B₂	854	797	207.76
6	B₂	311	290	0.01

Atom	y (Å)	z (Å)
C1	0.000	0.135
S2	0.000	1.735
Cl3	1.430	-0.840
Cl4	-1.430	-0.840

	C1	S2	Cl3	Cl4
C1		1.5994	1.7316	1.7316
S2	1.5994		2.9457	2.9457
Cl3	1.7316	2.9457		2.8610
Cl4	1.7316	2.9457	2.8610

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	C1	Cl3	124.298		S2	C1	Cl4	124.298
Cl3	C1	Cl4	111.405

All results from a given calculation for Cl₂CS (Thiophosgene)

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

using model chemistry: CCD/cc-pVTZ

States and conformations

All results from a given calculation for Cl₂CS (Thiophosgene)