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	hartrees
Energy at 0K	-574.144894
Energy at 298.15K	-574.146050
HF Energy	-574.144894
Nuclear repulsion energy	88.281941

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3077	2942	21.00
2	A'	1892	1809	384.85
3	A'	1327	1268	31.88
4	A'	750	717	217.92
5	A'	465	445	10.19
6	A"	976	933	1.83

Atom	x (Å)	y (Å)
C1	0.000	0.796
O2	1.116	1.162
Cl3	-0.473	-0.912
H4	-0.892	1.431

	C1	O2	Cl3	H4
C1		1.1749	1.7716	1.0953
O2	1.1749		2.6125	2.0265
Cl3	1.7716	2.6125		2.3801
H4	1.0953	2.0265	2.3801

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.637		O2	C1	H4	126.373
Cl3	C1	H4	109.990

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

using model chemistry: wB97X-D/cc-pVTZ

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	0.200
2	O	-0.182
3	Cl	-0.114
4	H	0.096

	x	y	z	Total
	-1.714	0.768	0.000	1.878
CHELPG
AIM
ESP

	x	y	z
x	3.932	0.965	0.000
y	0.965	5.254	0.000
z	0.000	0.000	2.467

<r²>	60.335
(<r²>)^1/2	7.768