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	hartrees
Energy at 0K	-1354.952297
Energy at 298.15K	-1354.952611
HF Energy	-1354.378620
Nuclear repulsion energy	244.746104

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1218	1163	264.04
2	A₁	521	498	23.02
3	A₁	312	298	0.05
4	B₁	495	473	2.63
5	B₂	854	816	223.83
6	B₂	325	310	0.21

Atom	y (Å)	z (Å)
C1	0.000	0.135
S2	0.000	1.733
Cl3	1.438	-0.840
Cl4	-1.438	-0.840

	C1	S2	Cl3	Cl4
C1		1.5986	1.7373	1.7373
S2	1.5986		2.9477	2.9477
Cl3	1.7373	2.9477		2.8765
Cl4	1.7373	2.9477	2.8765

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	C1	Cl3	124.118		S2	C1	Cl4	124.118
Cl3	C1	Cl4	111.764

All results from a given calculation for Cl₂CS (Thiophosgene)

using model chemistry: CCD/6-311G**

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/6-311G**

States and conformations

All results from a given calculation for Cl₂CS (Thiophosgene)