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	hartrees
Energy at 0K	-574.161965
Energy at 298.15K	-574.163081
HF Energy	-574.161965
Nuclear repulsion energy	87.363451

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3065	2974	14.35
2	A'	1838	1784	384.67
3	A'	1303	1264	27.21
4	A'	719	698	213.39
5	A'	444	431	12.81
6	A"	941	913	3.10

Atom	x (Å)	y (Å)
C1	0.000	0.810
O2	1.126	1.177
Cl3	-0.477	-0.924
H4	-0.904	1.441

	C1	O2	Cl3	H4
C1		1.1846	1.7989	1.1028
O2	1.1846		2.6431	2.0481
Cl3	1.7989	2.6431		2.4039
H4	1.1028	2.0481	2.4039

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.399		O2	C1	H4	127.071
Cl3	C1	H4	109.529

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

using model chemistry: B3LYP/aug-cc-pVDZ

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	0.468
2	O	-0.281
3	Cl	-0.075
4	H	-0.112

	x	y	z	Total
	-1.732	0.757	0.000	1.891
CHELPG
AIM
ESP

	x	y	z
x	4.761	0.958	0.000
y	0.958	6.014	0.000
z	0.000	0.000	3.320

<r²>	0.000
(<r²>)^1/2	0.000