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	hartrees
Energy at 0K	-1146.523958
Energy at 298.15K	-1146.524274
HF Energy	-1146.523958
Nuclear repulsion energy	323.031971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1806	1789	0.00
2	A_g	988	979	0.00
3	A_g	591	586	0.00
4	A_g	405	401	0.00
5	A_g	275	272	0.00
6	A_u	368	365	13.85
7	A_u	26	26	0.43
8	B_g	699	693	0.00
9	B_u	1837	1820	422.92
10	B_u	718	712	531.46
11	B_u	468	464	15.50
12	B_u	199	197	3.51

Atom	x (Å)	y (Å)
C1	-0.182	0.759
C2	0.182	-0.759
O3	-1.286	1.201
O4	1.286	-1.201
Cl5	1.286	1.769
Cl6	-1.286	-1.769

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5616	1.1892	2.4494	1.7822	2.7590
C2	1.5616		2.4494	1.1892	2.7590	1.7822
O3	1.1892	2.4494		3.5197	2.6345	2.9703
O4	2.4494	1.1892	3.5197		2.9703	2.6345
Cl5	1.7822	2.7590	2.6345	2.9703		4.3747
Cl6	2.7590	1.7822	2.9703	2.6345	4.3747

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	125.305	C1	C2	Cl6	111.025
C2	C1	O3	125.305	C2	C1	Cl5	111.025
O3	C1	Cl5	123.670	O4	C2	Cl6	123.670

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

using model chemistry: PBEPBE/6-311G**

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	0.135
2	C	0.135
3	O	-0.148
4	O	-0.148
5	Cl	0.013
6	Cl	0.013

	x	y	z
x	10.021	2.856	0.000
y	2.856	8.546	0.000
z	0.000	0.000	3.179

<r²>	249.399
(<r²>)^1/2	15.792