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	hartrees
Energy at 0K	-572.448434
Energy at 298.15K	-572.449554
HF Energy	-572.448434
Nuclear repulsion energy	88.085660

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2971	2937	18.26
2	A'	1852	1831	370.05
3	A'	1279	1265	18.97
4	A'	734	725	206.47
5	A'	453	448	12.15
6	A"	915	905	4.18

Atom	x (Å)	y (Å)
C1	0.000	0.797
O2	1.121	1.166
Cl3	-0.474	-0.914
H4	-0.906	1.434

	C1	O2	Cl3	H4
C1		1.1798	1.7759	1.1073
O2	1.1798		2.6213	2.0442
Cl3	1.7759	2.6213		2.3875
H4	1.1073	2.0442	2.3875

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	123.709		O2	C1	H4	126.679
Cl3	C1	H4	109.612

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

using model chemistry: SVWN/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	0.034
2	O	-0.164
3	Cl	-0.044
4	H	0.174

	x	y	z	Total
	-1.736	0.678	0.000	1.863
CHELPG
AIM
ESP

	x	y	z
x	3.912	1.108	0.000
y	1.108	5.407	0.000
z	0.000	0.000	2.222

<r²>	60.740
(<r²>)^1/2	7.794