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	hartrees
Energy at 0K	-573.854569
Energy at 298.15K	-573.855648
HF Energy	-573.854569
Nuclear repulsion energy	86.955244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2987	2956	33.83
2	A'	1823	1804	361.86
3	A'	1297	1283	29.07
4	A'	698	691	203.82
5	A'	432	427	17.99
6	A"	900	891	3.90

Atom	x (Å)	y (Å)
C1	0.000	0.814
O2	1.125	1.191
Cl3	-0.476	-0.932
H4	-0.913	1.437

	C1	O2	Cl3	H4
C1		1.1866	1.8102	1.1051
O2	1.1866		2.6592	2.0530
Cl3	1.8102	2.6592		2.4094
H4	1.1051	2.0530	2.4094

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.741		O2	C1	H4	127.195
Cl3	C1	H4	109.064

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	-0.003
2	O	-0.170
3	Cl	-0.073
4	H	0.246

	x	y	z	Total
	-1.514	1.012	0.000	1.821
CHELPG
AIM
ESP

	x	y	z
x	3.496	1.184	0.000
y	1.184	5.431	0.000
z	0.000	0.000	1.768

<r²>	0.000
(<r²>)^1/2	0.000