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	hartrees
Energy at 0K	-1145.466027
Energy at 298.15K
HF Energy	-1144.525421
Nuclear repulsion energy	326.218973

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1905	1781	0.00
2	A_g	1127	1054	0.00
3	A_g	640	599	0.00
4	A_g	449	420	0.00
5	A_g	293	274	0.00
6	A_u	390	364	19.01
7	A_u	18i	16i	0.87
8	B_g	721	674	0.00
9	B_u	1934	1809	402.30
10	B_u	797	745	482.82
11	B_u	516	483	6.21
12	B_u	210	197	3.77

Atom	x (Å)	y (Å)
C1	-0.169	0.756
C2	0.169	-0.756
O3	-1.266	1.184
O4	1.266	-1.184
Cl5	1.266	1.769
Cl6	-1.266	-1.769

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5497	1.1775	2.4131	1.7561	2.7535
C2	1.5497		2.4131	1.1775	2.7535	1.7561
O3	1.1775	2.4131		3.4666	2.5982	2.9535
O4	2.4131	1.1775	3.4666		2.9535	2.5982
Cl5	1.7561	2.7535	2.5982	2.9535		4.3508
Cl6	2.7535	1.7561	2.9535	2.5982	4.3508

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	123.893	C1	C2	Cl6	112.652
C2	C1	O3	123.893	C2	C1	Cl5	112.652
O3	C1	Cl5	123.455	O4	C2	Cl6	123.455

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

using model chemistry: MP3/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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