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	hartrees
Energy at 0K	-572.866178
Energy at 298.15K	-572.867408
HF Energy	-572.866178
Nuclear repulsion energy	89.332261

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3239	2919	23.27
2	A'	2018	1818	461.95
3	A'	1460	1315	52.12
4	A'	807	727	243.25
5	A'	505	455	7.36
6	A"	1072	966	0.20

Atom	x (Å)	y (Å)
C1	0.000	0.793
O2	1.102	1.148
Cl3	-0.467	-0.904
H4	-0.879	1.426

	C1	O2	Cl3	H4
C1		1.1578	1.7594	1.0832
O2	1.1578		2.5828	1.9998
Cl3	1.7594	2.5828		2.3660
H4	1.0832	1.9998	2.3660

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.270		O2	C1	H4	126.320
Cl3	C1	H4	110.410

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

using model chemistry: ROHF/cc-pVTZ

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	0.288
2	O	-0.254
3	Cl	-0.156
4	H	0.122

	x	y	z	Total
	-1.984	0.737	0.000	2.116
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000