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	hartrees
Energy at 0K	-1141.078876
Energy at 298.15K	-1141.079471
HF Energy	-1141.078876
Nuclear repulsion energy	326.014322

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1803	1730	0.00
2	A_g	1009	969	0.00
3	A_g	621	596	0.00
4	A_g	426	409	0.00
5	A_g	301	289	0.00
6	A_u	430	412	14.95
7	A_u	66	63	0.35
8	B_g	780	748	0.00
9	B_u	1828	1755	310.35
10	B_u	761	730	471.45
11	B_u	488	469	8.91
12	B_u	215	206	7.20

Atom	x (Å)	y (Å)
C1	-0.174	0.748
C2	0.174	-0.748
O3	-1.293	1.193
O4	1.293	-1.193
Cl5	1.293	1.717
Cl6	-1.293	-1.717

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5366	1.2035	2.4331	1.7578	2.7071
C2	1.5366		2.4331	1.2035	2.7071	1.7578
O3	1.2035	2.4331		3.5179	2.6379	2.9098
O4	2.4331	1.2035	3.5179		2.9098	2.6379
Cl5	1.7578	2.7071	2.6379	2.9098		4.2983
Cl6	2.7071	1.7578	2.9098	2.6379	4.2983

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.783	C1	C2	Cl6	110.334
C2	C1	O3	124.783	C2	C1	Cl5	110.334
O3	C1	Cl5	124.884	O4	C2	Cl6	124.884

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

using model chemistry: HSEh1PBE/3-21G*

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	0.260
2	C	0.260
3	O	-0.355
4	O	-0.355
5	Cl	0.094
6	Cl	0.094

	x	y	z
x	8.798	2.231	0.000
y	2.231	7.058	0.000
z	0.000	0.000	2.736

<r²>	243.444
(<r²>)^1/2	15.603