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	hartrees
Energy at 0K	-1348.597314
Energy at 298.15K	-1348.597518
HF Energy	-1348.078165
Nuclear repulsion energy	242.851956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1194	1142	199.05
2	A₁	485	463	22.69
3	A₁	299	286	0.56
4	B₁	478	457	0.85
5	B₂	771	737	193.95
6	B₂	315	302	0.05

Atom	y (Å)	z (Å)
C1	0.000	0.144
S2	0.000	1.745
Cl3	1.451	-0.846
Cl4	-1.451	-0.846

	C1	S2	Cl3	Cl4
C1		1.6008	1.7564	1.7564
S2	1.6008		2.9696	2.9696
Cl3	1.7564	2.9696		2.9011
Cl4	1.7564	2.9696	2.9011

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	C1	Cl3	124.326		S2	C1	Cl4	124.326
Cl3	C1	Cl4	111.348

All results from a given calculation for Cl₂CS (Thiophosgene)

using model chemistry: CCD/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: CCD/3-21G*

States and conformations

All results from a given calculation for Cl₂CS (Thiophosgene)