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	hartrees
Energy at 0K	-1147.008998
Energy at 298.15K	-1147.009488
HF Energy	-1147.008998
Nuclear repulsion energy	325.651328

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1885	1805	0.00
2	A_g	1092	1046	0.00
3	A_g	621	594	0.00
4	A_g	434	415	0.00
5	A_g	288	276	0.00
6	A_u	388	371	17.16
7	A_u	23	22	0.87
8	B_g	735	704	0.00
9	B_u	1909	1827	461.97
10	B_u	781	747	532.84
11	B_u	499	478	6.39
12	B_u	205	196	4.11

Atom	x (Å)	y (Å)
C1	-0.173	0.758
C2	0.173	-0.758
O3	-1.272	1.194
O4	1.272	-1.194
Cl5	1.272	1.761
Cl6	-1.272	-1.761

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5553	1.1821	2.4282	1.7586	2.7487
C2	1.5553		2.4282	1.1821	2.7487	1.7586
O3	1.1821	2.4282		3.4883	2.6062	2.9547
O4	2.4282	1.1821	3.4883		2.9547	2.6062
Cl5	1.7586	2.7487	2.6062	2.9547		4.3448
Cl6	2.7487	1.7586	2.9547	2.6062	4.3448

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.438	C1	C2	Cl6	111.939
C2	C1	O3	124.438	C2	C1	Cl5	111.939
O3	C1	Cl5	123.623	O4	C2	Cl6	123.623

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

using model chemistry: wB97X-D/aug-cc-pVDZ

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	0.277
2	C	0.277
3	O	-0.303
4	O	-0.303
5	Cl	0.026
6	Cl	0.026

	x	y	z
x	10.593	1.881	0.000
y	1.881	9.742	0.000
z	0.000	0.000	5.689

<r²>	245.964
(<r²>)^1/2	15.683