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	hartrees
Energy at 0K	-572.466764
Energy at 298.15K	-572.467882
HF Energy	-572.466764
Nuclear repulsion energy	88.442065

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2962	2934	13.46
2	A'	1838	1821	352.57
3	A'	1258	1246	16.25
4	A'	734	727	200.70
5	A'	451	447	9.16
6	A"	909	901	4.16

Atom	x (Å)	y (Å)
C1	0.000	0.791
O2	1.122	1.156
Cl3	-0.475	-0.907
H4	-0.904	1.429

	C1	O2	Cl3	H4
C1		1.1801	1.7632	1.1070
O2	1.1801		2.6094	2.0444
Cl3	1.7632	2.6094		2.3759
H4	1.1070	2.0444	2.3759

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.677		O2	C1	H4	126.704
Cl3	C1	H4	109.620

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

using model chemistry: LSDA/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	0.062
2	O	-0.353
3	Cl	-0.045
4	H	0.336

	x	y	z	Total
	-1.704	0.538	0.000	1.787
CHELPG
AIM
ESP

	x	y	z
x	5.013	0.939	0.000
y	0.939	6.207	0.000
z	0.000	0.000	3.526

<r²>	0.000
(<r²>)^1/2	0.000