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	hartrees
Energy at 0K	-1145.368067
Energy at 298.15K	-1145.368643
HF Energy	-1144.464171
Nuclear repulsion energy	325.119042

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1897	1815	0.00
2	A_g	1136	1087	0.00
3	A_g	633	606	0.00
4	A_g	444	425	0.00
5	A_g	296	283	0.00
6	A_u	400	383	18.86
7	A_u	37	36	0.51
8	B_g	744	712	0.00
9	B_u	1916	1833	366.34
10	B_u	797	763	476.71
11	B_u	508	486	6.80
12	B_u	211	201	3.93

Atom	x (Å)	y (Å)
C1	-0.171	0.760
C2	0.171	-0.760
O3	-1.275	1.195
O4	1.275	-1.195
Cl5	1.275	1.761
Cl6	-1.275	-1.761

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5574	1.1868	2.4319	1.7597	2.7521
C2	1.5574		2.4319	1.1868	2.7521	1.7597
O3	1.1868	2.4319		3.4956	2.6130	2.9563
O4	2.4319	1.1868	3.4956		2.9563	2.6130
Cl5	1.7597	2.7521	2.6130	2.9563		4.3493
Cl6	2.7521	1.7597	2.9563	2.6130	4.3493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.234	C1	C2	Cl6	111.983
C2	C1	O3	124.234	C2	C1	Cl5	111.983
O3	C1	Cl5	123.783	O4	C2	Cl6	123.783

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

using model chemistry: CCD/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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