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	hartrees
Energy at 0K	-36.622714
Energy at 298.15K	-36.623757
HF Energy	-36.354182
Nuclear repulsion energy	31.099367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3099	3024	22.46
2	A'	1594	1556	328.38
3	A'	1336	1304	54.92
4	A'	656	641	217.34
5	A'	405	395	25.07
6	A"	900	878	6.53

Atom	x (Å)	y (Å)
C1	0.000	0.853
O2	1.179	1.228
Cl3	-0.502	-0.966
H4	-0.903	1.478

	C1	O2	Cl3	H4
C1		1.2372	1.8864	1.0983
O2	1.2372		2.7637	2.0963
Cl3	1.8864	2.7637		2.4770
H4	1.0983	2.0963	2.4770

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.097		O2	C1	H4	127.586
Cl3	C1	H4	109.317

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

using model chemistry: MP2/CEP-121G

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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