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	hartrees
Energy at 0K	-1147.153429
Energy at 298.15K	-1147.153832
HF Energy	-1147.153429
Nuclear repulsion energy	324.128060

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1863	1800	0.00
2	A_g	1032	997	0.00
3	A_g	605	585	0.00
4	A_g	420	406	0.00
5	A_g	280	271	0.00
6	A_u	386	373	18.67
7	A_u	29	28	0.50
8	B_g	724	700	0.00
9	B_u	1896	1832	467.39
10	B_u	737	713	561.96
11	B_u	483	467	14.39
12	B_u	203	196	3.93

Atom	x (Å)	y (Å)
C1	-0.180	0.759
C2	0.180	-0.759
O3	-1.276	1.191
O4	1.276	-1.191
Cl5	1.276	1.777
Cl6	-1.276	-1.777

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5602	1.1780	2.4336	1.7771	2.7630
C2	1.5602		2.4336	1.1780	2.7630	1.7771
O3	1.1780	2.4336		3.4909	2.6190	2.9681
O4	2.4336	1.1780	3.4909		2.9681	2.6190
Cl5	1.7771	2.7630	2.6190	2.9681		4.3762
Cl6	2.7630	1.7771	2.9681	2.6190	4.3762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.858	C1	C2	Cl6	111.605
C2	C1	O3	124.858	C2	C1	Cl5	111.605
O3	C1	Cl5	123.537	O4	C2	Cl6	123.537

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

using model chemistry: B3LYPultrafine/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	0.177
2	C	0.177
3	O	-0.176
4	O	-0.176
5	Cl	-0.001
6	Cl	-0.001

	x	y	z
x	9.601	2.653	0.000
y	2.653	8.116	0.000
z	0.000	0.000	3.127

<r²>	248.873
(<r²>)^1/2	15.776