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	hartrees
Energy at 0K	-573.825586
Energy at 298.15K	-573.826671
HF Energy	-573.825586
Nuclear repulsion energy	86.826527

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2976	2959	28.03
2	A'	1817	1806	327.72
3	A'	1253	1245	23.09
4	A'	705	701	186.74
5	A'	434	432	12.74
6	A"	900	894	2.55

Atom	x (Å)	y (Å)
C1	0.000	0.812
O2	1.132	1.189
Cl3	-0.478	-0.931
H4	-0.924	1.436

	C1	O2	Cl3	H4
C1		1.1933	1.8065	1.1152
O2	1.1933		2.6620	2.0705
Cl3	1.8065	2.6620		2.4085
H4	1.1152	2.0705	2.4085

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.804		O2	C1	H4	127.468
Cl3	C1	H4	108.727

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

using model chemistry: PBEPBE/cc-pVDZ

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	0.094
2	O	-0.086
3	Cl	-0.092
4	H	0.084

	x	y	z	Total
	-1.428	0.860	0.000	1.667
CHELPG
AIM
ESP

	x	y	z
x	3.428	1.022	0.000
y	1.022	5.093	0.000
z	0.000	0.000	1.779

<r²>	0.000
(<r²>)^1/2	0.000