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	hartrees
Energy at 0K	-574.075732
Energy at 298.15K	-574.076783
HF Energy	-574.075732
Nuclear repulsion energy	84.855190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3146	3024	19.10
2	A'	1749	1682	374.52
3	A'	1313	1262	32.70
4	A'	668	642	182.02
5	A'	417	400	14.34
6	A"	919	884	9.09

Atom	x (Å)	y (Å)
C1	0.000	0.844
O2	1.151	1.223
Cl3	-0.488	-0.959
H4	-0.909	1.455

	C1	O2	Cl3	H4
C1		1.2112	1.8681	1.0949
O2	1.2112		2.7285	2.0723
Cl3	1.8681	2.7285		2.4503
H4	1.0949	2.0723	2.4503

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.355		O2	C1	H4	127.883
Cl3	C1	H4	108.762

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

using model chemistry: B3LYP/SDD

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	-0.090
2	O	-0.106
3	Cl	-0.060
4	H	0.256

	x	y	z	Total
	-1.900	1.251	0.000	2.275
CHELPG
AIM
ESP

	x	y	z
x	3.055	1.326	0.000
y	1.326	4.879	0.000
z	0.000	0.000	1.264

<r²>	0.000
(<r²>)^1/2	0.000