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	hartrees
Energy at 0K	-1145.720795
Energy at 298.15K	-1145.721337
HF Energy	-1144.561714
Nuclear repulsion energy	326.984117

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1875	1765	0.00
2	A_g	1130	1063	0.00
3	A_g	633	596	0.00
4	A_g	444	418	0.00
5	A_g	292	275	0.00
6	A_u	398	375	18.24
7	A_u	23	21	0.81
8	B_g	742	698	0.00
9	B_u	1893	1781	377.62
10	B_u	798	751	485.19
11	B_u	508	478	6.58
12	B_u	208	196	3.80

Atom	x (Å)	y (Å)
C1	-0.168	0.756
C2	0.168	-0.756
O3	-1.268	1.188
O4	1.268	-1.188
Cl5	1.268	1.751
Cl6	-1.268	-1.751

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5492	1.1819	2.4171	1.7473	2.7381
C2	1.5492		2.4171	1.1819	2.7381	1.7473
O3	1.1819	2.4171		3.4754	2.5982	2.9392
O4	2.4171	1.1819	3.4754		2.9392	2.5982
Cl5	1.7473	2.7381	2.5982	2.9392		4.3244
Cl6	2.7381	1.7473	2.9392	2.5982	4.3244

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	123.962	C1	C2	Cl6	112.182
C2	C1	O3	123.962	C2	C1	Cl5	112.182
O3	C1	Cl5	123.856	O4	C2	Cl6	123.856

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

using model chemistry: CCSD/cc-pVTZ

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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