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	hartrees
Energy at 0K	-574.131698
Energy at 298.15K	-574.132848
HF Energy	-574.131698
Nuclear repulsion energy	88.476330

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3088	2957	23.34
2	A'	1902	1821	342.51
3	A'	1342	1285	32.88
4	A'	754	722	208.25
5	A'	465	445	8.46
6	A"	963	923	1.33

Atom	x (Å)	y (Å)
C1	0.000	0.794
O2	1.118	1.158
Cl3	-0.474	-0.909
H4	-0.897	1.423

	C1	O2	Cl3	H4
C1		1.1762	1.7681	1.0957
O2	1.1762		2.6095	2.0329
Cl3	1.7681	2.6095		2.3707
H4	1.0957	2.0329	2.3707

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.569		O2	C1	H4	126.933
Cl3	C1	H4	109.498

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

using model chemistry: B1B95/6-31G(2df,p)

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	0.125
2	O	-0.170
3	Cl	-0.126
4	H	0.171

	x	y	z	Total
	-1.599	0.762	0.000	1.772
CHELPG
AIM
ESP

	x	y	z
x	3.777	0.861	0.000
y	0.861	5.064	0.000
z	0.000	0.000	2.388

<r²>	0.000
(<r²>)^1/2	0.000