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	hartrees
Energy at 0K	-572.384013
Energy at 298.15K	-572.385136
HF Energy	-572.384014
Nuclear repulsion energy	88.069444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2994	2949	16.12
2	A'	1845	1817	374.57
3	A'	1280	1261	19.73
4	A'	746	734	209.27
5	A'	457	450	9.20
6	A"	912	898	6.03

Atom	x (Å)	y (Å)
C1	0.000	0.791
O2	1.133	1.157
Cl3	-0.480	-0.908
H4	-0.900	1.440

	C1	O2	Cl3	H4
C1		1.1903	1.7658	1.1095
O2	1.1903		2.6201	2.0522
Cl3	1.7658	2.6201		2.3858
H4	1.1095	2.0522	2.3858

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.661		O2	C1	H4	126.296
Cl3	C1	H4	110.043

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

using model chemistry: LSDA/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	-0.061
2	O	-0.208
3	Cl	0.057
4	H	0.212

	x	y	z	Total
	-1.829	0.613	0.000	1.929
CHELPG
AIM
ESP

	x	y	z
x	4.306	1.129	0.000
y	1.129	5.678	0.000
z	0.000	0.000	2.482

<r²>	0.000
(<r²>)^1/2	0.000