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	hartrees
Energy at 0K	-571.390111
Energy at 298.15K	-571.391211
HF Energy	-571.390111
Nuclear repulsion energy	87.137019

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3123	2982	26.15
2	A'	1794	1713	277.80
3	A'	1375	1313	28.30
4	A'	697	666	213.74
5	A'	435	415	18.38
6	A"	973	929	4.90

Atom	x (Å)	y (Å)
C1	0.000	0.806
O2	1.139	1.180
Cl3	-0.483	-0.923
H4	-0.906	1.410

	C1	O2	Cl3	H4
C1		1.1990	1.7944	1.0888
O2	1.1990		2.6553	2.0579
Cl3	1.7944	2.6553		2.3704
H4	1.0888	2.0579	2.3704

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.786		O2	C1	H4	128.121
Cl3	C1	H4	108.093

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

using model chemistry: B1B95/3-21G*

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	0.132
2	O	-0.359
3	Cl	-0.033
4	H	0.260

	x	y	z	Total
	-1.640	1.009	0.000	1.926
CHELPG
AIM
ESP

	x	y	z
x	3.149	1.011	0.000
y	1.011	4.558	0.000
z	0.000	0.000	1.468

<r²>	0.000
(<r²>)^1/2	0.000