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	hartrees
Energy at 0K	-1146.588039
Energy at 298.15K	-1146.588509
HF Energy	-1146.287542
Nuclear repulsion energy	324.354592

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1838	1761	0.00
2	A_g	1073	1028	0.00
3	A_g	614	588	0.00
4	A_g	424	406	0.00
5	A_g	289	277	0.00
6	A_u	390	373	16.92
7	A_u	33	32	0.44
8	B_g	731	700	0.00
9	B_u	1860	1781	395.12
10	B_u	759	727	516.37
11	B_u	487	466	9.21
12	B_u	206	197	3.99

Atom	x (Å)	y (Å)
C1	-0.177	0.757
C2	0.177	-0.757
O3	-1.283	1.195
O4	1.283	-1.195
Cl5	1.283	1.760
Cl6	-1.283	-1.760

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5540	1.1893	2.4368	1.7710	2.7484
C2	1.5540		2.4368	1.1893	2.7484	1.7710
O3	1.1893	2.4368		3.5057	2.6267	2.9543
O4	2.4368	1.1893	3.5057		2.9543	2.6267
Cl5	1.7710	2.7484	2.6267	2.9543		4.3548
Cl6	2.7484	1.7710	2.9543	2.6267	4.3548

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.783	C1	C2	Cl6	111.331
C2	C1	O3	124.783	C2	C1	Cl5	111.331
O3	C1	Cl5	123.887	O4	C2	Cl6	123.887

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

using model chemistry: B2PLYP/cc-pVDZ

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	0.102
2	C	0.102
3	O	-0.081
4	O	-0.081
5	Cl	-0.021
6	Cl	-0.021

	x	y	z
x	9.027	2.244	0.000
y	2.244	7.514	0.000
z	0.000	0.000	3.103

<r²>	247.074
(<r²>)^1/2	15.719