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	hartrees
Energy at 0K	-1145.710693
Energy at 298.15K	-1145.711258
HF Energy	-1144.562212
Nuclear repulsion energy	327.344959

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1890	1765	0.00
2	A_g	1137	1061	0.00
3	A_g	636	594	0.00
4	A_g	448	418	0.00
5	A_g	293	274	0.00
6	A_u	401	374	18.59
7	A_u	25	24	0.81
8	B_g	747	698	0.00
9	B_u	1912	1785	374.39
10	B_u	803	750	487.88
11	B_u	512	478	6.68
12	B_u	209	195	3.82

Atom	x (Å)	y (Å)
C1	-0.168	0.756
C2	0.168	-0.756
O3	-1.266	1.187
O4	1.266	-1.187
Cl5	1.266	1.751
Cl6	-1.266	-1.751

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5488	1.1796	2.4147	1.7451	2.7368
C2	1.5488		2.4147	1.1796	2.7368	1.7451
O3	1.1796	2.4147		3.4707	2.5938	2.9379
O4	2.4147	1.1796	3.4707		2.9379	2.5938
Cl5	1.7451	2.7368	2.5938	2.9379		4.3212
Cl6	2.7368	1.7451	2.9379	2.5938	4.3212

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	123.948	C1	C2	Cl6	112.241
C2	C1	O3	123.948	C2	C1	Cl5	112.241
O3	C1	Cl5	123.811	O4	C2	Cl6	123.811

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

using model chemistry: CCD/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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