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	hartrees
Energy at 0K	-569.946206
Energy at 298.15K	-569.947292
HF Energy	-569.946206
Nuclear repulsion energy	85.549840

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3344	3029	9.23
2	A'	1964	1778	432.77
3	A'	1409	1276	121.41
4	A'	671	608	260.24
5	A'	415	375	29.39
6	A"	1032	935	2.22

Atom	x (Å)	y (Å)
C1	0.000	0.866
O2	1.115	1.226
Cl3	-0.471	-0.966
H4	-0.918	1.419

	C1	O2	Cl3	H4
C1		1.1715	1.8921	1.0716
O2	1.1715		2.7058	2.0423
Cl3	1.8921	2.7058		2.4265
H4	1.0716	2.0423	2.4265

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	122.295		O2	C1	H4	131.085
Cl3	C1	H4	106.619

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

using model chemistry: HF/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	0.226
2	O	-0.429
3	Cl	-0.093
4	H	0.296

	x	y	z	Total
	-1.787	2.030	0.000	2.705
CHELPG
AIM
ESP

	x	y	z
x	2.758	1.077	0.000
y	1.077	4.688	0.000
z	0.000	0.000	1.075

<r²>	0.000
(<r²>)^1/2	0.000