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	hartrees
Energy at 0K	-1147.088118
Energy at 298.15K
HF Energy	-1147.088118
Nuclear repulsion energy	324.515255

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1790	1767	0.00
2	A_g	980	968	0.00
3	A_g	584	576	0.00
4	A_g	407	401	0.00
5	A_g	275	272	0.00
6	A_u	372	367	13.38
7	A_u	22i	22i	0.76
8	B_g	705	695	0.00
9	B_u	1825	1801	416.08
10	B_u	721	712	517.38
11	B_u	469	463	15.29
12	B_u	201	198	3.79

Atom	x (Å)	y (Å)
C1	-0.178	0.763
C2	0.178	-0.763
O3	-1.279	1.202
O4	1.279	-1.202
Cl5	1.279	1.761
Cl6	-1.279	-1.761

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5660	1.1850	2.4452	1.7659	2.7531
C2	1.5660		2.4452	1.1850	2.7531	1.7659
O3	1.1850	2.4452		3.5092	2.6176	2.9626
O4	2.4452	1.1850	3.5092		2.9626	2.6176
Cl5	1.7659	2.7531	2.6176	2.9626		4.3524
Cl6	2.7531	1.7659	2.9626	2.6176	4.3524

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	120.501	C1	C2	Cl6	119.346
C2	C1	O3	120.501	C2	C1	Cl5	119.346
O3	C1	Cl5	120.153	O4	C2	Cl6	120.153

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	0.545
2	C	0.545
3	O	-0.505
4	O	-0.505
5	Cl	-0.040
6	Cl	-0.040

	x	y	z
x	11.180	2.207	0.000
y	2.207	10.541	0.000
z	0.000	0.000	5.859

<r²>	247.073
(<r²>)^1/2	15.719