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	hartrees
Energy at 0K	-1146.651725
Energy at 298.15K	-1146.652199
HF Energy	-1146.651725
Nuclear repulsion energy	326.471450

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1883	1807	0.00
2	A_g	1071	1029	0.00
3	A_g	622	597	0.00
4	A_g	434	417	0.00
5	A_g	288	276	0.00
6	A_u	390	374	17.63
7	A_u	17	16	0.90
8	B_g	733	703	0.00
9	B_u	1913	1836	470.76
10	B_u	778	747	526.47
11	B_u	502	482	7.96
12	B_u	207	199	3.71

Atom	x (Å)	y (Å)
C1	-0.174	0.757
C2	0.174	-0.757
O3	-1.269	1.188
O4	1.269	-1.188
Cl5	1.269	1.757
Cl6	-1.269	-1.757

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5528	1.1770	2.4218	1.7563	2.7416
C2	1.5528		2.4218	1.1770	2.7416	1.7563
O3	1.1770	2.4218		3.4770	2.6018	2.9446
O4	2.4218	1.1770	3.4770		2.9446	2.6018
Cl5	1.7563	2.7416	2.6018	2.9446		4.3348
Cl6	2.7416	1.7563	2.9446	2.6018	4.3348

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.463	C1	C2	Cl6	111.743
C2	C1	O3	124.463	C2	C1	Cl5	111.743
O3	C1	Cl5	123.793	O4	C2	Cl6	123.793

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

using model chemistry: HSEh1PBE/TZVP

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	0.162
2	C	0.162
3	O	-0.141
4	O	-0.141
5	Cl	-0.020
6	Cl	-0.020

	x	y	z
x	9.746	2.060	0.000
y	2.060	8.068	0.000
z	0.000	0.000	4.043

<r²>	244.961
(<r²>)^1/2	15.651