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	hartrees
Energy at 0K	-574.146504
Energy at 298.15K	-574.147589
HF Energy	-574.146504
Nuclear repulsion energy	87.520800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2986	2947	21.20
2	A'	1804	1780	360.07
3	A'	1289	1272	22.27
4	A'	695	686	203.51
5	A'	430	425	17.98
6	A"	918	906	3.48

Atom	x (Å)	y (Å)
C1	0.000	0.806
O2	1.123	1.180
Cl3	-0.475	-0.924
H4	-0.905	1.430

	C1	O2	Cl3	H4
C1		1.1835	1.7935	1.0997
O2	1.1835		2.6415	2.0435
Cl3	1.7935	2.6415		2.3928
H4	1.0997	2.0435	2.3928

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	124.081		O2	C1	H4	126.325
Cl3	C1	H4	109.594

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	0.434
2	O	-0.423
3	Cl	-0.175
4	H	0.164

	x	y	z	Total
	-1.647	0.671	0.000	1.778
CHELPG
AIM
ESP

	x	y	z
x	4.878	0.994	0.000
y	0.994	6.151	0.000
z	0.000	0.000	3.407

<r²>	61.335
(<r²>)^1/2	7.832