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	hartrees
Energy at 0K	-1145.607887
Energy at 298.15K	-1145.608503
HF Energy	-1144.434338
Nuclear repulsion energy	328.337891

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1900	1789	0.00
2	A_g	1144	1077	0.00
3	A_g	645	607	0.00
4	A_g	449	423	0.00
5	A_g	299	281	0.00
6	A_u	411	387	19.21
7	A_u	39	36	0.57
8	B_g	769	724	0.00
9	B_u	1915	1803	358.75
10	B_u	810	762	481.89
11	B_u	513	483	7.32
12	B_u	212	200	4.43

Atom	x (Å)	y (Å)
C1	-0.169	0.752
C2	0.169	-0.752
O3	-1.266	1.184
O4	1.266	-1.184
Cl5	1.266	1.738
Cl6	-1.266	-1.738

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5412	1.1795	2.4096	1.7406	2.7208
C2	1.5412		2.4096	1.1795	2.7208	1.7406
O3	1.1795	2.4096		3.4669	2.5919	2.9219
O4	2.4096	1.1795	3.4669		2.9219	2.5919
Cl5	1.7406	2.7208	2.5919	2.9219		4.3001
Cl6	2.7208	1.7406	2.9219	2.5919	4.3001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.128	C1	C2	Cl6	111.863
C2	C1	O3	124.128	C2	C1	Cl5	111.863
O3	C1	Cl5	124.009	O4	C2	Cl6	124.009

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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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