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	hartrees
Energy at 0K	-574.147366
Energy at 298.15K	-574.148520
HF Energy	-574.147366
Nuclear repulsion energy	88.303338

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3077	2943	15.70
2	A'	1883	1801	395.59
3	A'	1324	1266	30.55
4	A'	749	716	218.84
5	A'	464	444	9.95
6	A"	974	932	2.69

Atom	x (Å)	y (Å)
C1	0.000	0.796
O2	1.117	1.160
Cl3	-0.473	-0.911
H4	-0.891	1.433

	C1	O2	Cl3	H4
C1		1.1752	1.7711	1.0952
O2	1.1752		2.6116	2.0264
Cl3	1.7711	2.6116		2.3807
H4	1.0952	2.0264	2.3807

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.579		O2	C1	H4	126.350
Cl3	C1	H4	110.071

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

using model chemistry: wB97X-D/aug-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	0.148
2	O	-0.434
3	Cl	-0.091
4	H	0.378

	x	y	z	Total
	-1.741	0.700	0.000	1.876
CHELPG
AIM
ESP

	x	y	z
x	4.820	0.881	0.000
y	0.881	5.861	0.000
z	0.000	0.000	3.453

<r²>	60.395
(<r²>)^1/2	7.771