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	hartrees
Energy at 0K	-572.385271
Energy at 298.15K	-572.386390
HF Energy	-572.385271
Nuclear repulsion energy	88.289152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2978	2930	19.50
2	A'	1869	1840	304.30
3	A'	1271	1251	20.33
4	A'	741	729	189.74
5	A'	453	445	7.59
6	A"	916	901	2.58

Atom	x (Å)	y (Å)
C1	0.000	0.792
O2	1.123	1.160
Cl3	-0.475	-0.909
H4	-0.912	1.423

	C1	O2	Cl3	H4
C1		1.1818	1.7666	1.1093
O2	1.1818		2.6144	2.0526
Cl3	1.7666	2.6144		2.3731
H4	1.1093	2.0526	2.3731

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.714		O2	C1	H4	127.223
Cl3	C1	H4	109.063

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

using model chemistry: LSDA/6-31G(2df,p)

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	0.036
2	O	-0.105
3	Cl	-0.115
4	H	0.185

	x	y	z	Total
	-1.526	0.694	0.000	1.676
CHELPG
AIM
ESP

	x	y	z
x	3.868	0.905	0.000
y	0.905	5.292	0.000
z	0.000	0.000	2.407

<r²>	0.000
(<r²>)^1/2	0.000