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	hartrees
Energy at 0K	-73.090946
Energy at 298.15K	-73.091371
HF Energy	-73.090946
Nuclear repulsion energy	107.605030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1890	1890	0.00
2	A_g	1076	1076	0.00
3	A_g	611	611	0.00
4	A_g	425	425	0.00
5	A_g	282	282	0.00
6	A_u	390	390	16.37
7	A_u	39	39	0.99
8	B_g	724	724	0.00
9	B_u	1911	1911	508.18
10	B_u	759	759	556.77
11	B_u	491	491	7.65
12	B_u	195	195	3.31

Atom	x (Å)	y (Å)
C1	-0.172	0.772
C2	0.172	-0.772
O3	-1.282	1.213
O4	1.282	-1.213
Cl5	1.282	1.769
Cl6	-1.282	-1.769

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5814	1.1951	2.4604	1.7628	2.7730
C2	1.5814		2.4604	1.1951	2.7730	1.7628
O3	1.1951	2.4604		3.5302	2.6239	2.9822
O4	2.4604	1.1951	3.5302		2.9822	2.6239
Cl5	1.7628	2.7730	2.6239	2.9822		4.3696
Cl6	2.7730	1.7628	2.9822	2.6239	4.3696

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.197	C1	C2	Cl6	111.919
C2	C1	O3	124.197	C2	C1	Cl5	111.919
O3	C1	Cl5	123.884	O4	C2	Cl6	123.884

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

using model chemistry: wB97X-D/CEP-31G*

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	-0.024
2	C	-0.024
3	O	0.051
4	O	0.051
5	Cl	-0.026
6	Cl	-0.026

	x	y	z
x	9.513	2.184	0.000
y	2.184	7.791	0.000
z	0.000	0.000	3.309

<r²>	137.892
(<r²>)^1/2	11.743