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	hartrees
Energy at 0K	-1140.749862
Energy at 298.15K	-1140.750188
HF Energy	-1140.551516
Nuclear repulsion energy	315.718599

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1785	1699	0.00
2	A_g	942	897	0.00
3	A_g	582	554	0.00
4	A_g	380	361	0.00
5	A_g	273	259	0.00
6	A_u	407	388	18.37
7	A_u	55	53	0.17
8	B_g	727	692	0.00
9	B_u	1809	1722	305.79
10	B_u	670	637	474.44
11	B_u	432	411	23.27
12	B_u	204	195	7.93

Atom	x (Å)	y (Å)
C1	-0.218	0.733
C2	0.218	-0.733
O3	-1.335	1.172
O4	1.335	-1.172
Cl5	1.335	1.809
Cl6	-1.335	-1.809

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5294	1.2007	2.4579	1.8891	2.7766
C2	1.5294		2.4579	1.2007	2.7766	1.8891
O3	1.2007	2.4579		3.5534	2.7454	2.9808
O4	2.4579	1.2007	3.5534		2.9808	2.7454
Cl5	1.8891	2.7766	2.7454	2.9808		4.4964
Cl6	2.7766	1.8891	2.9808	2.7454	4.4964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	127.988	C1	C2	Cl6	108.168
C2	C1	O3	127.988	C2	C1	Cl5	108.168
O3	C1	Cl5	123.844	O4	C2	Cl6	123.844

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

using model chemistry: B2PLYP=FULL/3-21G

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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