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	hartrees
Energy at 0K	-1353.094495
Energy at 298.15K	-1353.094723
HF Energy	-1353.094495
Nuclear repulsion energy	245.241380

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1149	1131	334.28
2	A₁	510	502	20.51
3	A₁	300	295	0.30
4	B₁	489	481	2.80
5	B₂	791	779	275.16
6	B₂	306	301	0.65

Atom	y (Å)	z (Å)
C1	0.000	0.136
S2	0.000	1.742
Cl3	1.425	-0.844
Cl4	-1.425	-0.844

	C1	S2	Cl3	Cl4
C1		1.6063	1.7290	1.7290
S2	1.6063		2.9525	2.9525
Cl3	1.7290	2.9525		2.8491
Cl4	1.7290	2.9525	2.8491

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	C1	Cl3	124.523		S2	C1	Cl4	124.523
Cl3	C1	Cl4	110.955

All results from a given calculation for Cl₂CS (Thiophosgene)

using model chemistry: SVWN/6-31+G**

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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Number	Element	Mulliken
1	C	-0.414
2	S	-0.022
3	Cl	0.218
4	Cl	0.218

	x	y	z	Total
	0.000	0.000	-0.624	0.624
CHELPG
AIM
ESP

<r²>	168.829
(<r²>)^1/2	12.993

All results from a given calculation for Cl2CS (Thiophosgene)

using model chemistry: SVWN/6-31+G**

States and conformations

All results from a given calculation for Cl₂CS (Thiophosgene)