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	hartrees
Energy at 0K	-127.953097
Energy at 298.15K	-127.954252
HF Energy	-127.953097
Nuclear repulsion energy	51.312742

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3384	3045	15.75
2	A'	1898	1708	482.07
3	A'	1450	1305	69.48
4	A'	733	660	231.57
5	A'	467	420	12.88
6	A"	1031	928	1.65

Atom	x (Å)	y (Å)
C1	0.000	0.824
O2	1.135	1.177
Cl3	-0.483	-0.930
H4	-0.876	1.449

	C1	O2	Cl3	H4
C1		1.1886	1.8198	1.0757
O2	1.1886		2.6566	2.0293
Cl3	1.8198	2.6566		2.4113
H4	1.0757	2.0293	2.4113

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	122.640		O2	C1	H4	127.258
Cl3	C1	H4	110.102

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

using model chemistry: HF/LANL2DZ

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	0.091
2	O	-0.232
3	Cl	-0.108
4	H	0.249

	x	y	z	Total
	-2.239	1.496	0.000	2.693
CHELPG
AIM
ESP

	x	y	z
x	2.789	1.172	0.000
y	1.172	4.216	0.000
z	0.000	0.000	1.004

<r²>	0.000
(<r²>)^1/2	0.000