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	hartrees
Energy at 0K	-1139.675773
Energy at 298.15K	-1139.676340
HF Energy	-1138.954742
Nuclear repulsion energy	323.056583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1746	1670	0.00
2	A_g	1022	978	0.00
3	A_g	613	586	0.00
4	A_g	424	406	0.00
5	A_g	297	284	0.00
6	A_u	422	404	17.41
7	A_u	67	64	0.10
8	B_g	754	721	0.00
9	B_u	1772	1695	211.10
10	B_u	753	720	434.12
11	B_u	486	465	9.36
12	B_u	215	206	6.79

Atom	x (Å)	y (Å)
C1	-0.172	0.754
C2	0.172	-0.754
O3	-1.298	1.202
O4	1.298	-1.202
Cl5	1.298	1.746
Cl6	-1.298	-1.746

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5467	1.2118	2.4469	1.7732	2.7421
C2	1.5467		2.4469	1.2118	2.7421	1.7732
O3	1.2118	2.4469		3.5382	2.6517	2.9488
O4	2.4469	1.2118	3.5382		2.9488	2.6517
Cl5	1.7732	2.7421	2.6517	2.9488		4.3515
Cl6	2.7421	1.7732	2.9488	2.6517	4.3515

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.561	C1	C2	Cl6	111.190
C2	C1	O3	124.561	C2	C1	Cl5	111.190
O3	C1	Cl5	124.249	O4	C2	Cl6	124.249

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

using model chemistry: CCD/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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