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	hartrees
Energy at 0K	-1355.032786
Energy at 298.15K	-1355.032951
HF Energy	-1354.371836
Nuclear repulsion energy	241.205240

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1127	1099
2	A₁	482	470
3	A₁	290	283
4	B₁	455	444
5	B₂	777	758
6	B₂	299	291

Atom	y (Å)	z (Å)
C1	0.000	0.140
S2	0.000	1.771
Cl3	1.449	-0.858
Cl4	-1.449	-0.858

	C1	S2	Cl3	Cl4
C1		1.6303	1.7595	1.7595
S2	1.6303		3.0015	3.0015
Cl3	1.7595	3.0015		2.8976
Cl4	1.7595	3.0015	2.8976

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	C1	Cl3	124.572		S2	C1	Cl4	124.572
Cl3	C1	Cl4	110.857

All results from a given calculation for Cl₂CS (Thiophosgene)

using model chemistry: MP4=FULL/aug-cc-pVDZ

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: MP4=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for Cl₂CS (Thiophosgene)