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	hartrees
Energy at 0K	-572.374076
Energy at 298.15K	-572.375192
HF Energy	-572.374076
Nuclear repulsion energy	87.919707

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3002	2945	25.83
2	A'	1870	1835	317.71
3	A'	1302	1277	21.35
4	A'	745	731	198.27
5	A'	454	446	9.56
6	A"	913	896	3.59

Atom	x (Å)	y (Å)
C1	0.000	0.795
O2	1.129	1.165
Cl3	-0.478	-0.913
H4	-0.908	1.433

	C1	O2	Cl3	H4
C1		1.1879	1.7732	1.1095
O2	1.1879		2.6264	2.0541
Cl3	1.7732	2.6264		2.3846
H4	1.1095	2.0541	2.3846

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.789		O2	C1	H4	126.750
Cl3	C1	H4	109.461

All results from a given calculation for COHCl (Formyl chloride)

using model chemistry: LSDA/6-31G*

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	0.023
2	O	-0.236
3	Cl	-0.001
4	H	0.214

	x	y	z	Total
	-1.601	0.754	0.000	1.769
CHELPG
AIM
ESP

	x	y	z
x	3.490	1.022	0.000
y	1.022	5.027	0.000
z	0.000	0.000	1.782

<r²>	0.000
(<r²>)^1/2	0.000