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	hartrees
Energy at 0K	-1141.203271
Energy at 298.15K	-1141.203745
HF Energy	-1141.203271
Nuclear repulsion energy	320.373498

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1890	1812	0.00
2	A_g	1014	973	0.00
3	A_g	612	586	0.00
4	A_g	412	395	0.00
5	A_g	286	274	0.00
6	A_u	418	401	21.59
7	A_u	42	40	0.05
8	B_g	752	721	0.00
9	B_u	1915	1836	351.24
10	B_u	729	699	464.47
11	B_u	467	448	8.61
12	B_u	214	205	6.73

Atom	x (Å)	y (Å)
C1	-0.203	0.738
C2	0.203	-0.738
O3	-1.315	1.170
O4	1.315	-1.170
Cl5	1.315	1.775
Cl6	-1.315	-1.775

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5310	1.1928	2.4377	1.8378	2.7478
C2	1.5310		2.4377	1.1928	2.7478	1.8378
O3	1.1928	2.4377		3.5194	2.6984	2.9441
O4	2.4377	1.1928	3.5194		2.9441	2.6984
Cl5	1.8378	2.7478	2.6984	2.9441		4.4173
Cl6	2.7478	1.8378	2.9441	2.6984	4.4173

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	126.563	C1	C2	Cl6	108.970
C2	C1	O3	126.563	C2	C1	Cl5	108.970
O3	C1	Cl5	124.467	O4	C2	Cl6	124.467

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

using model chemistry: M06-2X/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	0.219
2	C	0.219
3	O	-0.329
4	O	-0.329
5	Cl	0.110
6	Cl	0.110

	x	y	z
x	8.858	2.761	0.000
y	2.761	6.990	0.000
z	0.000	0.000	2.142

<r²>	253.257
(<r²>)^1/2	15.914