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	hartrees
Energy at 0K	-1146.542118
Energy at 298.15K	-1146.542532
HF Energy	-1146.231485
Nuclear repulsion energy	324.955095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1814	1726	0.00
2	A_g	1083	1030	0.00
3	A_g	617	586	0.00
4	A_g	429	408	0.00
5	A_g	289	275	0.00
6	A_u	386	367	17.63
7	A_u	7	7	1.00
8	B_g	712	677	0.00
9	B_u	1841	1750	419.84
10	B_u	774	736	522.63
11	B_u	495	471	7.56
12	B_u	206	196	4.36

Atom	x (Å)	y (Å)
C1	-0.166	0.759
C2	0.166	-0.759
O3	-1.277	1.198
O4	1.277	-1.198
Cl5	1.277	1.760
Cl6	-1.277	-1.760

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5531	1.1946	2.4308	1.7559	2.7524
C2	1.5531		2.4308	1.1946	2.7524	1.7559
O3	1.1946	2.4308		3.5014	2.6147	2.9574
O4	2.4308	1.1946	3.5014		2.9574	2.6147
Cl5	1.7559	2.7524	2.6147	2.9574		4.3481
Cl6	2.7524	1.7559	2.9574	2.6147	4.3481

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	123.899	C1	C2	Cl6	112.426
C2	C1	O3	123.899	C2	C1	Cl5	112.426
O3	C1	Cl5	123.675	O4	C2	Cl6	123.675

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

using model chemistry: B2PLYP=FULL/6-31+G**

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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