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	hartrees
Energy at 0K	-574.131379
Energy at 298.15K	-574.132536
HF Energy	-574.131379
Nuclear repulsion energy	88.010579

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3083	2944	21.14
2	A'	1900	1814	413.73
3	A'	1345	1284	36.33
4	A'	752	718	225.92
5	A'	467	446	12.31
6	A"	973	929	1.74

Atom	x (Å)	y (Å)
C1	0.000	0.799
O2	1.117	1.167
Cl3	-0.473	-0.915
H4	-0.892	1.437

	C1	O2	Cl3	H4
C1		1.1756	1.7783	1.0967
O2	1.1756		2.6194	2.0266
Cl3	1.7783	2.6194		2.3895
H4	1.0967	2.0266	2.3895

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.652		O2	C1	H4	126.181
Cl3	C1	H4	110.167

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

using model chemistry: wB97X-D/TZVP

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	0.159
2	O	-0.207
3	Cl	-0.096
4	H	0.144

	x	y	z	Total
	-1.777	0.880	0.000	1.983
CHELPG
AIM
ESP

	x	y	z
x	3.752	1.049	0.000
y	1.049	5.081	0.000
z	0.000	0.000	2.130

<r²>	60.779
(<r²>)^1/2	7.796