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	hartrees
Energy at 0K	-1145.468942
Energy at 298.15K
HF Energy	-1144.524780
Nuclear repulsion energy	325.780359

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1883	1785	0.00
2	A_g	1122	1064	0.00
3	A_g	636	602	0.00
4	A_g	446	423	0.00
5	A_g	292	277	0.00
6	A_u	388	368	18.93
7	A_u	18i	17i	0.81
8	B_g	720	682	0.00
9	B_u	1907	1808	371.99
10	B_u	795	753	475.05
11	B_u	513	486	6.30
12	B_u	209	199	3.70

Atom	x (Å)	y (Å)
C1	-0.169	0.757
C2	0.169	-0.757
O3	-1.268	1.188
O4	1.268	-1.188
Cl5	1.268	1.769
Cl6	-1.268	-1.769

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5516	1.1807	2.4182	1.7574	2.7553
C2	1.5516		2.4182	1.1807	2.7553	1.7574
O3	1.1807	2.4182		3.4751	2.6020	2.9571
O4	2.4182	1.1807	3.4751		2.9571	2.6020
Cl5	1.7574	2.7553	2.6020	2.9571		4.3536
Cl6	2.7553	1.7574	2.9571	2.6020	4.3536

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	123.948	C1	C2	Cl6	112.601
C2	C1	O3	123.948	C2	C1	Cl5	112.601
O3	C1	Cl5	123.450	O4	C2	Cl6	123.450

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

using model chemistry: CCD/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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