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	hartrees
Energy at 0K	-570.219901
Energy at 298.15K	-570.220863
HF Energy	-569.941793
Nuclear repulsion energy	82.469306

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3181	3036	14.65
2	A'	1732	1653	303.11
3	A'	1311	1251	91.45
4	A'	598	571	212.73
5	A'	359	342	43.64
6	A"	921	879	5.16

Atom	x (Å)	y (Å)
C1	0.000	0.904
O2	1.137	1.299
Cl3	-0.479	-1.014
H4	-0.957	1.418

	C1	O2	Cl3	H4
C1		1.2038	1.9774	1.0859
O2	1.2038		2.8221	2.0976
Cl3	1.9774	2.8221		2.4783
H4	1.0859	2.0976	2.4783

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.170		O2	C1	H4	132.646
Cl3	C1	H4	104.183

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

using model chemistry: MP2/3-21G

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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