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	hartrees
Energy at 0K	-1147.010665
Energy at 298.15K	-1147.011141
HF Energy	-1147.010665
Nuclear repulsion energy	326.941912

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1930	1930	0.00
2	A_g	1088	1088	0.00
3	A_g	621	621	0.00
4	A_g	439	439	0.00
5	A_g	288	288	0.00
6	A_u	387	387	20.07
7	A_u	21	21	0.53
8	B_g	733	733	0.00
9	B_u	1957	1957	499.10
10	B_u	768	768	571.82
11	B_u	503	503	8.13
12	B_u	203	203	3.98

Atom	x (Å)	y (Å)
C1	-0.172	0.759
C2	0.172	-0.759
O3	-1.266	1.186
O4	1.266	-1.186
Cl5	1.266	1.757
Cl6	-1.266	-1.757

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5568	1.1741	2.4193	1.7507	2.7435
C2	1.5568		2.4193	1.1741	2.7435	1.7507
O3	1.1741	2.4193		3.4698	2.5957	2.9431
O4	2.4193	1.1741	3.4698		2.9431	2.5957
Cl5	1.7507	2.7435	2.5957	2.9431		4.3312
Cl6	2.7435	1.7507	2.9431	2.5957	4.3312

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.123	C1	C2	Cl6	111.955
C2	C1	O3	124.123	C2	C1	Cl5	111.955
O3	C1	Cl5	123.922	O4	C2	Cl6	123.922

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

using model chemistry: M06-2X/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	0.189
2	C	0.189
3	O	-0.207
4	O	-0.207
5	Cl	0.018
6	Cl	0.018

	x	y	z
x	9.293	2.391	0.000
y	2.391	7.657	0.000
z	0.000	0.000	3.110

<r²>	244.883
(<r²>)^1/2	15.649