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	hartrees
Energy at 0K	-1147.068502
Energy at 298.15K	-1147.068914
HF Energy	-1147.068502
Nuclear repulsion energy	325.510733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1845	1780	0.00
2	A_g	1040	1004	0.00
3	A_g	610	589	0.00
4	A_g	420	405	0.00
5	A_g	281	271	0.00
6	A_u	381	367	16.33
7	A_u	34	33	0.45
8	B_g	726	700	0.00
9	B_u	1874	1808	395.02
10	B_u	749	723	525.42
11	B_u	481	464	8.11
12	B_u	198	192	3.73

Atom	x (Å)	y (Å)
C1	-0.178	0.755
C2	0.178	-0.755
O3	-1.279	1.193
O4	1.279	-1.193
Cl5	1.279	1.750
Cl6	-1.279	-1.750

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5515	1.1849	2.4326	1.7647	2.7361
C2	1.5515		2.4326	1.1849	2.7361	1.7647
O3	1.1849	2.4326		3.4980	2.6187	2.9423
O4	2.4326	1.1849	3.4980		2.9423	2.6187
Cl5	1.7647	2.7361	2.6187	2.9423		4.3351
Cl6	2.7361	1.7647	2.9423	2.6187	4.3351

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.956	C1	C2	Cl6	111.027
C2	C1	O3	124.956	C2	C1	Cl5	111.027
O3	C1	Cl5	124.016	O4	C2	Cl6	124.016

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

using model chemistry: TPSSh/6-31G(2df,p)

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	0.275
2	C	0.275
3	O	-0.203
4	O	-0.203
5	Cl	-0.071
6	Cl	-0.071

	x	y	z
x	9.649	2.243	0.000
y	2.243	8.812	0.000
z	0.000	0.000	4.315

<r²>	244.963
(<r²>)^1/2	15.651