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	hartrees
Energy at 0K	-1146.430680
Energy at 298.15K	-1146.431011
HF Energy	-1146.430680
Nuclear repulsion energy	323.984604

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1811	1792	0.00
2	A_g	1002	992	0.00
3	A_g	598	592	0.00
4	A_g	408	404	0.00
5	A_g	277	274	0.00
6	A_u	370	366	13.62
7	A_u	27	26	0.37
8	B_g	705	698	0.00
9	B_u	1839	1820	366.64
10	B_u	731	723	493.49
11	B_u	469	464	8.78
12	B_u	199	196	3.43

Atom	x (Å)	y (Å)
C1	-0.181	0.757
C2	0.181	-0.757
O3	-1.287	1.200
O4	1.287	-1.200
Cl5	1.287	1.753
Cl6	-1.287	-1.753

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5567	1.1917	2.4468	1.7746	2.7431
C2	1.5567		2.4468	1.1917	2.7431	1.7746
O3	1.1917	2.4468		3.5200	2.6336	2.9532
O4	2.4468	1.1917	3.5200		2.9532	2.6336
Cl5	1.7746	2.7431	2.6336	2.9532		4.3502
Cl6	2.7431	1.7746	2.9532	2.6336	4.3502

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	125.291	C1	C2	Cl6	110.689
C2	C1	O3	125.291	C2	C1	Cl5	110.689
O3	C1	Cl5	124.020	O4	C2	Cl6	124.020

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

using model chemistry: PBEPBE/6-31G(2df,p)

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	0.221
2	C	0.221
3	O	-0.150
4	O	-0.150
5	Cl	-0.071
6	Cl	-0.071

	x	y	z
x	9.915	2.418	0.000
y	2.418	9.126	0.000
z	0.000	0.000	4.343

<r²>	246.714
(<r²>)^1/2	15.707