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	hartrees
Energy at 0K	-573.804346
Energy at 298.15K	-573.805441
HF Energy	-573.804346
Nuclear repulsion energy	87.063192

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3005	2971	19.76
2	A'	1799	1779	374.19
3	A'	1289	1274	22.92
4	A'	716	708	207.00
5	A'	441	436	12.97
6	A"	906	896	5.71

Atom	x (Å)	y (Å)
C1	0.000	0.805
O2	1.138	1.178
Cl3	-0.483	-0.923
H4	-0.903	1.445

	C1	O2	Cl3	H4
C1		1.1980	1.7944	1.1067
O2	1.1980		2.6542	2.0586
Cl3	1.7944	2.6542		2.4051
H4	1.1067	2.0586	2.4051

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.769		O2	C1	H4	126.514
Cl3	C1	H4	109.717

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

using model chemistry: PBEPBE/6-31+G**

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	-0.048
2	O	-0.200
3	Cl	0.049
4	H	0.199

	x	y	z	Total
	-1.740	0.746	0.000	1.894
CHELPG
AIM
ESP

	x	y	z
x	4.328	1.179	0.000
y	1.179	5.803	0.000
z	0.000	0.000	2.509

<r²>	0.000
(<r²>)^1/2	0.000