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	hartrees
Energy at 0K	-1145.479972
Energy at 298.15K
HF Energy	-1144.524188
Nuclear repulsion energy	325.361275

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1866	1781	0.00
2	A_g	1114	1063	0.00
3	A_g	632	603	0.00
4	A_g	441	421	0.00
5	A_g	291	277	0.00
6	A_u	385	368	18.65
7	A_u	21i	20i	0.82
8	B_g	713	681	0.00
9	B_u	1886	1800	380.13
10	B_u	789	753	473.24
11	B_u	509	485	6.29
12	B_u	209	199	3.68

Atom	x (Å)	y (Å)
C1	-0.169	0.758
C2	0.169	-0.758
O3	-1.271	1.189
O4	1.271	-1.189
Cl5	1.271	1.770
Cl6	-1.271	-1.770

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5526	1.1832	2.4212	1.7600	2.7572
C2	1.5526		2.4212	1.1832	2.7572	1.7600
O3	1.1832	2.4212		3.4805	2.6071	2.9587
O4	2.4212	1.1832	3.4805		2.9587	2.6071
Cl5	1.7600	2.7572	2.6071	2.9587		4.3576
Cl6	2.7572	1.7600	2.9587	2.6071	4.3576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	123.952	C1	C2	Cl6	112.530
C2	C1	O3	123.952	C2	C1	Cl5	112.530
O3	C1	Cl5	123.518	O4	C2	Cl6	123.518

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

using model chemistry: CCSD/TZVP

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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