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	hartrees
Energy at 0K	-1145.329573
Energy at 298.15K	-1145.330071
HF Energy	-1144.397651
Nuclear repulsion energy	324.874140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	1826	1732
2	A_g	1126	1068
3	A_g	628	595
4	A_g	437	414
5	A_g	293	278
6	A_u	388	368
7	A_u	31	29
8	B_g	709	672
9	B_u	1843	1748
10	B_u	794	753
11	B_u	502	476
12	B_u	210	199

Atom	x (Å)	y (Å)
C1	-0.163	0.758
C2	0.163	-0.758
O3	-1.279	1.198
O4	1.279	-1.198
Cl5	1.279	1.756
Cl6	-1.279	-1.756

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5509	1.1999	2.4299	1.7535	2.7511
C2	1.5509		2.4299	1.1999	2.7511	1.7535
O3	1.1999	2.4299		3.5048	2.6187	2.9538
O4	2.4299	1.1999	3.5048		2.9538	2.6187
Cl5	1.7535	2.7511	2.6187	2.9538		4.3453
Cl6	2.7511	1.7535	2.9538	2.6187	4.3453

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	123.593	C1	C2	Cl6	112.580
C2	C1	O3	123.593	C2	C1	Cl5	112.580
O3	C1	Cl5	123.827	O4	C2	Cl6	123.827

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

using model chemistry: CCSD(T)/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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