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	hartrees
Energy at 0K	-1147.098214
Energy at 298.15K
HF Energy	-1147.098214
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1792	1767	0.00
2	A_g	974	961	0.00
3	A_g	581	573	0.00
4	A_g	403	397	0.00
5	A_g	273	269	0.00
6	A_u	371	366	14.52
7	A_u	20i	20i	0.57
8	B_g	702	693	0.00
9	B_u	1827	1801	408.31
10	B_u	711	701	518.64
11	B_u	462	456	18.94
12	B_u	202	199	3.27

Atom	x (Å)	y (Å)
C1	-0.182	0.760
C2	0.182	-0.760
O3	-1.283	1.199
O4	1.283	-1.199
Cl5	1.283	1.768
Cl6	-1.283	-1.768

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5635	1.1856	2.4466	1.7779	2.7577
C2	1.5635		2.4466	1.1856	2.7577	1.7779
O3	1.1856	2.4466		3.5126	2.6284	2.9673
O4	2.4466	1.1856	3.5126		2.9673	2.6284
Cl5	1.7779	2.7577	2.6284	2.9673		4.3690
Cl6	2.7577	1.7779	2.9673	2.6284	4.3690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	125.176	C1	C2	Cl6	111.081
C2	C1	O3	125.176	C2	C1	Cl5	111.081
O3	C1	Cl5	123.743	O4	C2	Cl6	123.743

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

using model chemistry: B97D3/cc-pVTZ

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	0.170
2	C	0.170
3	O	-0.120
4	O	-0.120
5	Cl	-0.050
6	Cl	-0.050

	x	y	z
x	10.263	2.442	0.000
y	2.442	9.317	0.000
z	0.000	0.000	4.402

<r²>	248.182
(<r²>)^1/2	15.754