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	hartrees
Energy at 0K	-1146.567703
Energy at 298.15K	-1146.567986
HF Energy	-1146.567703
Nuclear repulsion energy	324.544720

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1779	1757	0.00
2	A_g	993	981	0.00
3	A_g	591	584	0.00
4	A_g	408	403	0.00
5	A_g	275	271	0.00
6	A_u	370	365	12.59
7	A_u	7	7	0.84
8	B_g	702	694	0.00
9	B_u	1813	1791	400.29
10	B_u	734	725	492.86
11	B_u	471	465	8.96
12	B_u	198	195	3.58

Atom	x (Å)	y (Å)
C1	-0.101	0.729
C2	0.101	-0.729
O3	-1.276	1.218
O4	1.276	-1.218
Cl5	1.276	1.773
Cl6	-1.276	-1.773

	C1	C2	O3	O4	Cl5	Cl6
C1		1.4725	1.2724	2.3850	1.7278	2.7641
C2	1.4725		2.3850	1.2724	2.7641	1.7278
O3	1.2724	2.3850		3.5279	2.6115	2.9907
O4	2.3850	1.2724	3.5279		2.9907	2.6115
Cl5	1.7278	2.7641	2.6115	2.9907		4.3684
Cl6	2.7641	1.7278	2.9907	2.6115	4.3684

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	120.485	C1	C2	Cl6	119.256
C2	C1	O3	120.485	C2	C1	Cl5	119.256
O3	C1	Cl5	120.259	O4	C2	Cl6	120.259

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

using model chemistry: PBEPBE/Def2TZVPP

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	0.146
2	C	0.146
3	O	-0.121
4	O	-0.121
5	Cl	-0.025
6	Cl	-0.025

	x	y	z
x	10.493	2.250	0.000
y	2.250	9.426	0.000
z	0.000	0.000	4.839

<r²>	246.504
(<r²>)^1/2	15.700