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	hartrees
Energy at 0K	-573.856184
Energy at 298.15K	-573.857266
HF Energy	-573.856184
Nuclear repulsion energy	86.940126

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2984	2957	28.53
2	A'	1820	1804	357.62
3	A'	1277	1265	28.28
4	A'	695	689	205.34
5	A'	431	427	18.09
6	A"	905	897	4.04

Atom	x (Å)	y (Å)
C1	0.000	0.816
O2	1.126	1.189
Cl3	-0.476	-0.932
H4	-0.916	1.433

	C1	O2	Cl3	H4
C1		1.1866	1.8117	1.1050
O2	1.1866		2.6586	2.0573
Cl3	1.8117	2.6586		2.4059
H4	1.1050	2.0573	2.4059

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.577		O2	C1	H4	127.695
Cl3	C1	H4	108.728

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

using model chemistry: PBEPBE/6-311G**

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	0.087
2	O	-0.169
3	Cl	-0.082
4	H	0.164

	x	y	z	Total
	-1.512	1.031	0.000	1.830
CHELPG
AIM
ESP

	x	y	z
x	3.513	1.184	0.000
y	1.184	5.448	0.000
z	0.000	0.000	1.790

<r²>	0.000
(<r²>)^1/2	0.000