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	hartrees
Energy at 0K	-574.146407
Energy at 298.15K	-574.147446
HF Energy	-574.146407
Nuclear repulsion energy	86.089262

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2979	2971	31.67
2	A'	1807	1802	368.98
3	A'	1287	1284	34.34
4	A'	666	664	198.13
5	A'	409	408	24.31
6	A"	891	889	3.82

Atom	x (Å)	y (Å)
C1	0.000	0.832
O2	1.123	1.214
Cl3	-0.474	-0.950
H4	-0.920	1.440

	C1	O2	Cl3	H4
C1		1.1860	1.8439	1.1028
O2	1.1860		2.6892	2.0554
Cl3	1.8439	2.6892		2.4313
H4	1.1028	2.0554	2.4313

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.674		O2	C1	H4	127.761
Cl3	C1	H4	108.565

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

using model chemistry: BLYP/6-311G*

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	0.020
2	O	-0.164
3	Cl	-0.092
4	H	0.237

	x	y	z	Total
	-1.473	1.176	0.000	1.885
CHELPG
AIM
ESP

	x	y	z
x	3.497	1.215	0.000
y	1.215	5.605	0.000
z	0.000	0.000	1.768

<r²>	0.000
(<r²>)^1/2	0.000