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	hartrees
Energy at 0K	-574.080537
Energy at 298.15K	-574.081590
HF Energy	-574.080537
Nuclear repulsion energy	86.110734

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3003	2978	30.77
2	A'	1807	1793	322.40
3	A'	1302	1291	29.87
4	A'	685	680	189.34
5	A'	418	415	17.10
6	A"	896	889	2.69

Atom	x (Å)	y (Å)
C1	0.000	0.807
O2	1.130	1.198
Cl3	-0.478	-0.933
H4	-0.910	1.439

	C1	O2	Cl3	H4
C1		1.1956	1.8051	1.1078
O2	1.1956		2.6697	2.0547
Cl3	1.8051	2.6697		2.4109
H4	1.1078	2.0547	2.4109

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	124.413		O2	C1	H4	126.215
Cl3	C1	H4	109.372

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

using model chemistry: BLYP/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	0.115
2	O	-0.251
3	Cl	-0.048
4	H	0.184

	x	y	z	Total
	-1.482	1.008	0.000	1.792
CHELPG
AIM
ESP

	x	y	z
x	3.498	1.085	0.000
y	1.085	5.232	0.000
z	0.000	0.000	1.779

<r²>	62.788
(<r²>)^1/2	7.924