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	hartrees
Energy at 0K	-1147.053563
Energy at 298.15K	-1147.053815
HF Energy	-1147.053563
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1809	1809	0.00
2	A_g	973	973	0.00
3	A_g	582	582	0.00
4	A_g	401	401	0.00
5	A_g	273	273	0.00
6	A_u	371	371	15.53
7	A_u	11	11	0.42
8	B_g	699	699	0.00
9	B_u	1842	1842	436.31
10	B_u	703	703	547.28
11	B_u	460	460	27.17
12	B_u	202	202	3.56

Atom	x (Å)	y (Å)
C1	-0.184	0.761
C2	0.184	-0.761
O3	-1.285	1.201
O4	1.285	-1.201
Cl5	1.285	1.779
Cl6	-1.285	-1.779

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5668	1.1850	2.4512	1.7869	2.7682
C2	1.5668		2.4512	1.1850	2.7682	1.7869
O3	1.1850	2.4512		3.5171	2.6338	2.9793
O4	2.4512	1.1850	3.5171		2.9793	2.6338
Cl5	1.7869	2.7682	2.6338	2.9793		4.3883
Cl6	2.7682	1.7869	2.9793	2.6338	4.3883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	125.368	C1	C2	Cl6	111.091
C2	C1	O3	125.368	C2	C1	Cl5	111.091
O3	C1	Cl5	123.541	O4	C2	Cl6	123.541

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

using model chemistry: B97D3/6-311G*

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	0.169
2	C	0.169
3	O	-0.168
4	O	-0.168
5	Cl	-0.001
6	Cl	-0.001

	x	y	z
x	9.958	2.867	0.000
y	2.867	8.569	0.000
z	0.000	0.000	3.165

<r²>	250.270
(<r²>)^1/2	15.820