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	hartrees
Energy at 0K	-574.169335
Energy at 298.15K	-574.170394
HF Energy	-574.169335
Nuclear repulsion energy	86.514438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2975	2966	23.01
2	A'	1787	1782	344.06
3	A'	1272	1268	24.38
4	A'	676	674	190.56
5	A'	416	414	18.57
6	A"	903	900	2.91

Atom	x (Å)	y (Å)
C1	0.000	0.822
O2	1.124	1.204
Cl3	-0.475	-0.941
H4	-0.915	1.433

	C1	O2	Cl3	H4
C1		1.1876	1.8261	1.1001
O2	1.1876		2.6760	2.0522
Cl3	1.8261	2.6760		2.4144
H4	1.1001	2.0522	2.4144

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.852		O2	C1	H4	127.503
Cl3	C1	H4	108.645

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

using model chemistry: BLYP/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	0.176
2	O	-0.151
3	Cl	-0.120
4	H	0.096

	x	y	z	Total
	-1.546	0.854	0.000	1.767
CHELPG
AIM
ESP

	x	y	z
x	4.075	1.072	0.000
y	1.072	5.766	0.000
z	0.000	0.000	2.525

<r²>	0.000
(<r²>)^1/2	0.000