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	hartrees
Energy at 0K	-1141.363256
Energy at 298.15K	-1141.363609
HF Energy	-1141.363256
Nuclear repulsion energy	316.980502

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1831	1767	0.00
2	A_g	941	908	0.00
3	A_g	590	569	0.00
4	A_g	385	372	0.00
5	A_g	275	265	0.00
6	A_u	410	396	18.05
7	A_u	54	52	0.08
8	B_g	732	707	0.00
9	B_u	1860	1795	335.07
10	B_u	678	654	460.27
11	B_u	438	422	18.37
12	B_u	206	198	6.65

Atom	x (Å)	y (Å)
C1	-0.217	0.733
C2	0.217	-0.733
O3	-1.329	1.171
O4	1.329	-1.171
Cl5	1.329	1.802
Cl6	-1.329	-1.802

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5288	1.1948	2.4523	1.8792	2.7679
C2	1.5288		2.4523	1.1948	2.7679	1.8792
O3	1.1948	2.4523		3.5419	2.7310	2.9730
O4	2.4523	1.1948	3.5419		2.9730	2.7310
Cl5	1.8792	2.7679	2.7310	2.9730		4.4775
Cl6	2.7679	1.8792	2.9730	2.7310	4.4775

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	127.999	C1	C2	Cl6	108.180
C2	C1	O3	127.999	C2	C1	Cl5	108.180
O3	C1	Cl5	123.821	O4	C2	Cl6	123.821

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

using model chemistry: B3LYP/3-21G

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	0.242
2	C	0.242
3	O	-0.313
4	O	-0.313
5	Cl	0.071
6	Cl	0.071

	x	y	z
x	9.162	3.123	0.000
y	3.123	7.592	0.000
z	0.000	0.000	2.145

<r²>	258.247
(<r²>)^1/2	16.070