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	hartrees
Energy at 0K	-1145.396309
Energy at 298.15K	-1145.396870
HF Energy	-1144.463707
Nuclear repulsion energy	325.020607

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1883	1883	0.00
2	A_g	1131	1131	0.00
3	A_g	631	631	0.00
4	A_g	440	440	0.00
5	A_g	295	295	0.00
6	A_u	399	399	18.47
7	A_u	36	36	0.52
8	B_g	741	741	0.00
9	B_u	1897	1897	373.92
10	B_u	793	793	474.91
11	B_u	504	504	6.75
12	B_u	211	211	3.94

Atom	x (Å)	y (Å)
C1	-0.171	0.759
C2	0.171	-0.759
O3	-1.277	1.195
O4	1.277	-1.195
Cl5	1.277	1.759
Cl6	-1.277	-1.759

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5561	1.1889	2.4323	1.7603	2.7505
C2	1.5561		2.4323	1.1889	2.7505	1.7603
O3	1.1889	2.4323		3.4983	2.6161	2.9544
O4	2.4323	1.1889	3.4983		2.9544	2.6161
Cl5	1.7603	2.7505	2.6161	2.9544		4.3482
Cl6	2.7505	1.7603	2.9544	2.6161	4.3482

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.228	C1	C2	Cl6	111.920
C2	C1	O3	124.228	C2	C1	Cl5	111.920
O3	C1	Cl5	123.852	O4	C2	Cl6	123.852

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

using model chemistry: CCSD=FULL/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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