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	hartrees
Energy at 0K	-1146.632357
Energy at 298.15K	-1146.632873
HF Energy	-1146.632357
Nuclear repulsion energy	326.933745

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1893	1818	0.00
2	A_g	1078	1036	0.00
3	A_g	626	601	0.00
4	A_g	435	418	0.00
5	A_g	290	278	0.00
6	A_u	391	376	18.39
7	A_u	33	32	0.68
8	B_g	740	711	0.00
9	B_u	1920	1844	475.18
10	B_u	774	743	557.03
11	B_u	503	483	8.26
12	B_u	207	199	4.08

Atom	x (Å)	y (Å)
C1	-0.174	0.756
C2	0.174	-0.756
O3	-1.268	1.189
O4	1.268	-1.189
Cl5	1.268	1.752
Cl6	-1.268	-1.752

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5506	1.1770	2.4208	1.7526	2.7359
C2	1.5506		2.4208	1.1770	2.7359	1.7526
O3	1.1770	2.4208		3.4766	2.5980	2.9408
O4	2.4208	1.1770	3.4766		2.9408	2.5980
Cl5	1.7526	2.7359	2.5980	2.9408		4.3253
Cl6	2.7359	1.7526	2.9408	2.5980	4.3253

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.550	C1	C2	Cl6	111.693
C2	C1	O3	124.550	C2	C1	Cl5	111.693
O3	C1	Cl5	123.756	O4	C2	Cl6	123.756

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

using model chemistry: HSEh1PBE/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	0.175
2	C	0.175
3	O	-0.187
4	O	-0.187
5	Cl	0.011
6	Cl	0.011

	x	y	z
x	9.402	2.434	0.000
y	2.434	7.793	0.000
z	0.000	0.000	3.119

<r²>	244.387
(<r²>)^1/2	15.633