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	hartrees
Energy at 0K	-574.148003
Energy at 298.15K	-574.149045
HF Energy	-574.148003
Nuclear repulsion energy	86.073190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2977	2965	26.60
2	A'	1805	1798	364.85
3	A'	1270	1265	33.65
4	A'	663	661	199.45
5	A'	408	406	24.54
6	A"	896	893	3.94

Atom	x (Å)	y (Å)
C1	0.000	0.834
O2	1.124	1.212
Cl3	-0.475	-0.949
H4	-0.923	1.436

	C1	O2	Cl3	H4
C1		1.1859	1.8456	1.1023
O2	1.1859		2.6887	2.0593
Cl3	1.8456	2.6887		2.4276
H4	1.1023	2.0593	2.4276

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.511		O2	C1	H4	128.267
Cl3	C1	H4	108.222

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

using model chemistry: BLYP/6-311G**

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	0.109
2	O	-0.164
3	Cl	-0.101
4	H	0.156

	x	y	z	Total
	-1.471	1.195	0.000	1.895
CHELPG
AIM
ESP

	x	y	z
x	3.513	1.216	0.000
y	1.216	5.622	0.000
z	0.000	0.000	1.790

<r²>	0.000
(<r²>)^1/2	0.000