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	hartrees
Energy at 0K	-1146.633292
Energy at 298.15K	-1146.633702
HF Energy	-1146.306833
Nuclear repulsion energy	324.183459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1800	1731	0.00
2	A_g	1065	1025	0.00
3	A_g	606	583	0.00
4	A_g	421	405	0.00
5	A_g	285	274	0.00
6	A_u	382	368	16.00
7	A_u	16	16	0.70
8	B_g	719	692	0.00
9	B_u	1825	1756	405.74
10	B_u	755	726	526.23
11	B_u	484	465	7.94
12	B_u	202	195	4.18

Atom	x (Å)	y (Å)
C1	-0.174	0.758
C2	0.174	-0.758
O3	-1.282	1.197
O4	1.282	-1.197
Cl5	1.282	1.763
Cl6	-1.282	-1.763

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5547	1.1916	2.4370	1.7688	2.7531
C2	1.5547		2.4370	1.1916	2.7531	1.7688
O3	1.1916	2.4370		3.5073	2.6247	2.9599
O4	2.4370	1.1916	3.5073		2.9599	2.6247
Cl5	1.7688	2.7531	2.6247	2.9599		4.3588
Cl6	2.7531	1.7688	2.9599	2.6247	4.3588

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.572	C1	C2	Cl6	111.700
C2	C1	O3	124.572	C2	C1	Cl5	111.700
O3	C1	Cl5	123.728	O4	C2	Cl6	123.728

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

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

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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