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	hartrees
Energy at 0K	-1147.156259
Energy at 298.15K	-1147.156670
HF Energy	-1147.156259
Nuclear repulsion energy	324.763253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1839	1839	0.00
2	A_g	1032	1032	0.00
3	A_g	606	606	0.00
4	A_g	419	419	0.00
5	A_g	280	280	0.00
6	A_u	379	379	16.95
7	A_u	34	34	0.56
8	B_g	720	720	0.00
9	B_u	1870	1870	454.56
10	B_u	740	740	561.27
11	B_u	482	482	12.26
12	B_u	199	199	3.81

Atom	x (Å)	y (Å)
C1	-0.178	0.757
C2	0.178	-0.757
O3	-1.278	1.194
O4	1.278	-1.194
Cl5	1.278	1.763
Cl6	-1.278	-1.763

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5560	1.1831	2.4347	1.7694	2.7500
C2	1.5560		2.4347	1.1831	2.7500	1.7694
O3	1.1831	2.4347		3.4977	2.6177	2.9577
O4	2.4347	1.1831	3.4977		2.9577	2.6177
Cl5	1.7694	2.7500	2.6177	2.9577		4.3550
Cl6	2.7500	1.7694	2.9577	2.6177	4.3550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.906	C1	C2	Cl6	111.420
C2	C1	O3	124.906	C2	C1	Cl5	111.420
O3	C1	Cl5	123.674	O4	C2	Cl6	123.674

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

using model chemistry: TPSSh/6-311G**

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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Number	Element	Mulliken
1	C	0.196
2	C	0.196
3	O	-0.196
4	O	-0.196
5	Cl	-0.001
6	Cl	-0.001

	x	y	z
x	9.662	2.611	0.000
y	2.611	8.139	0.000
z	0.000	0.000	3.125

<r²>	247.210
(<r²>)^1/2	15.723