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	hartrees
Energy at 0K	-572.879724
Energy at 298.15K	-572.880954
HF Energy	-572.879724
Nuclear repulsion energy	89.467902

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3235	2939	17.96
2	A'	2012	1828	468.28
3	A'	1460	1327	49.53
4	A'	809	735	242.31
5	A'	506	460	6.80
6	A"	1072	974	0.55

Atom	x (Å)	y (Å)
C1	0.000	0.791
O2	1.101	1.145
Cl3	-0.467	-0.902
H4	-0.877	1.427

	C1	O2	Cl3	H4
C1		1.1565	1.7561	1.0832
O2	1.1565		2.5781	1.9979
Cl3	1.7561	2.5781		2.3650
H4	1.0832	1.9979	2.3650

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.220		O2	C1	H4	126.223
Cl3	C1	H4	110.557

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

using model chemistry: HF/aug-cc-pVQZ

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	0.050
2	O	-0.491
3	Cl	-0.063
4	H	0.504

	x	y	z	Total
	-1.992	0.660	0.000	2.098
CHELPG
AIM
ESP

	x	y	z
x	4.469	0.742	0.000
y	0.742	5.284	0.000
z	0.000	0.000	3.273

<r²>	0.000
(<r²>)^1/2	0.000