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	hartrees
Energy at 0K	-72.972607
Energy at 298.15K	-72.972906
HF Energy	-72.972607
Nuclear repulsion energy	105.107780

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1706	1662	0.00
2	A_g	1009	984	0.00
3	A_g	588	573	0.00
4	A_g	403	393	0.00
5	A_g	267	261	0.00
6	A_u	371	361	19.37
7	A_u	27	26	0.54
8	B_g	678	660	0.00
9	B_u	1734	1689	400.40
10	B_u	715	697	447.96
11	B_u	459	447	6.78
12	B_u	196	191	3.53

Atom	x (Å)	y (Å)
C1	-0.183	0.761
C2	0.183	-0.761
O3	-1.318	1.208
O4	1.318	-1.208
Cl5	1.318	1.834
Cl6	-1.318	-1.834

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5655	1.2198	2.4758	1.8447	2.8326
C2	1.5655		2.4758	1.2198	2.8326	1.8447
O3	1.2198	2.4758		3.5754	2.7088	3.0423
O4	2.4758	1.2198	3.5754		3.0423	2.7088
Cl5	1.8447	2.8326	2.7088	3.0423		4.5168
Cl6	2.8326	1.8447	3.0423	2.7088	4.5168

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	125.002	C1	C2	Cl6	112.065
C2	C1	O3	125.002	C2	C1	Cl5	112.065
O3	C1	Cl5	122.933	O4	C2	Cl6	122.933

All results from a given calculation for ClCOClCO (Oxalyl chloride)

using model chemistry: B3LYP/CEP-121G

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	-0.136
2	C	-0.136
3	O	0.024
4	O	0.024
5	Cl	0.113
6	Cl	0.113

	x	y	z
x	10.219	2.748	0.000
y	2.748	8.311	0.000
z	0.000	0.000	2.925

<r²>	144.553
(<r²>)^1/2	12.023