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	hartrees
Energy at 0K	-1356.681185
Energy at 298.15K	-1356.681390
HF Energy	-1356.681185
Nuclear repulsion energy	244.616322

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1152	1112	329.58
2	A₁	504	486	18.34
3	A₁	291	281	0.14
4	B₁	485	468	0.57
5	B₂	785	758	258.82
6	B₂	299	289	0.08

Atom	y (Å)	z (Å)
C1	0.000	0.139
S2	0.000	1.745
Cl3	1.429	-0.846
Cl4	-1.429	-0.846

	C1	S2	Cl3	Cl4
C1		1.6064	1.7350	1.7350
S2	1.6064		2.9589	2.9589
Cl3	1.7350	2.9589		2.8570
Cl4	1.7350	2.9589	2.8570

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	C1	Cl3	124.581		S2	C1	Cl4	124.581
Cl3	C1	Cl4	110.839

All results from a given calculation for Cl₂CS (Thiophosgene)

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

All results from a given calculation for Cl₂CS (Thiophosgene)