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	hartrees
Energy at 0K	-573.737944
Energy at 298.15K	-573.738975
HF Energy	-573.737944
Nuclear repulsion energy	84.559027

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3082	3040	17.17
2	A'	1738	1714	312.15
3	A'	1285	1267	24.30
4	A'	658	649	184.03
5	A'	407	401	14.77
6	A"	889	877	9.12

Atom	x (Å)	y (Å)
C1	0.000	0.850
O2	1.151	1.230
Cl3	-0.487	-0.964
H4	-0.922	1.449

	C1	O2	Cl3	H4
C1		1.2121	1.8786	1.0990
O2	1.2121		2.7384	2.0840
Cl3	1.8786	2.7384		2.4517
H4	1.0990	2.0840	2.4517

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.307		O2	C1	H4	128.717
Cl3	C1	H4	107.976

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

using model chemistry: PBEPBE/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	0.009
2	O	-0.240
3	Cl	0.009
4	H	0.221

	x	y	z	Total
	-1.608	1.373	0.000	2.114
CHELPG
AIM
ESP

	x	y	z
x	3.325	1.332	0.000
y	1.332	5.282	0.000
z	0.000	0.000	1.369

<r²>	0.000
(<r²>)^1/2	0.000