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	hartrees
Energy at 0K	-1145.300227
Energy at 298.15K	-1145.300765
HF Energy	-1144.398793
Nuclear repulsion energy	325.436391

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1864	1755	0.00
2	A_g	1144	1077	0.00
3	A_g	636	598	0.00
4	A_g	443	417	0.00
5	A_g	296	279	0.00
6	A_u	395	372	22.01
7	A_u	30	28	0.81
8	B_g	723	681	0.00
9	B_u	1874	1764	342.94
10	B_u	806	759	471.40
11	B_u	508	478	7.18
12	B_u	212	200	4.23

Atom	x (Å)	y (Å)
C1	-0.162	0.758
C2	0.162	-0.758
O3	-1.276	1.196
O4	1.276	-1.196
Cl5	1.276	1.756
Cl6	-1.276	-1.756

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5507	1.1963	2.4261	1.7499	2.7494
C2	1.5507		2.4261	1.1963	2.7494	1.7499
O3	1.1963	2.4261		3.4971	2.6118	2.9517
O4	2.4261	1.1963	3.4971		2.9517	2.6118
Cl5	1.7499	2.7494	2.6118	2.9517		4.3403
Cl6	2.7494	1.7499	2.9517	2.6118	4.3403

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	123.542	C1	C2	Cl6	112.675
C2	C1	O3	123.542	C2	C1	Cl5	112.675
O3	C1	Cl5	123.783	O4	C2	Cl6	123.783

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

using model chemistry: QCISD/6-31G**

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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