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	hartrees
Energy at 0K	-1146.527738
Energy at 298.15K
HF Energy	-1146.222443
Nuclear repulsion energy	324.962178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1840	1840	0.00
2	A_g	1087	1087	0.00
3	A_g	619	619	0.00
4	A_g	429	429	0.00
5	A_g	291	291	0.00
6	A_u	389	389	20.26
7	A_u	33	33	0.61
8	B_g	721	721	0.00
9	B_u	1863	1863	371.50
10	B_u	774	774	519.52
11	B_u	494	494	8.64
12	B_u	209	209	4.20

Atom	x (Å)	y (Å)
C1	-0.170	0.757
C2	0.170	-0.757
O3	-1.280	1.195
O4	1.280	-1.195
Cl5	1.280	1.756
Cl6	-1.280	-1.756

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5510	1.1925	2.4310	1.7611	2.7466
C2	1.5510		2.4310	1.1925	2.7466	1.7611
O3	1.1925	2.4310		3.5011	2.6200	2.9508
O4	2.4310	1.1925	3.5011		2.9508	2.6200
Cl5	1.7611	2.7466	2.6200	2.9508		4.3457
Cl6	2.7466	1.7611	2.9508	2.6200	4.3457

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.249	C1	C2	Cl6	111.889
C2	C1	O3	124.249	C2	C1	Cl5	111.889
O3	C1	Cl5	123.862	O4	C2	Cl6	123.862

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

using model chemistry: B2PLYP=FULLultrafine/6-31G**

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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