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	hartrees
Energy at 0K	-1145.511381
Energy at 298.15K	-1145.511897
HF Energy	-1144.431528
Nuclear repulsion energy	326.872582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1810	1710	0.00
2	A_g	1096	1035	0.00
3	A_g	624	589	0.00
4	A_g	434	410	0.00
5	A_g	294	277	0.00
6	A_u	392	371	16.61
7	A_u	36	34	0.41
8	B_g	739	698	0.00
9	B_u	1834	1732	321.45
10	B_u	780	737	528.89
11	B_u	498	470	7.26
12	B_u	208	197	4.68

Atom	x (Å)	y (Å)
C1	-0.173	0.754
C2	0.173	-0.754
O3	-1.278	1.195
O4	1.278	-1.195
Cl5	1.278	1.731
Cl6	-1.278	-1.731

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5467	1.1900	2.4297	1.7490	2.7192
C2	1.5467		2.4297	1.1900	2.7192	1.7490
O3	1.1900	2.4297		3.4995	2.6112	2.9260
O4	2.4297	1.1900	3.4995		2.9260	2.6112
Cl5	1.7490	2.7192	2.6112	2.9260		4.3028
Cl6	2.7192	1.7490	2.9260	2.6112	4.3028

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.691	C1	C2	Cl6	111.044
C2	C1	O3	124.691	C2	C1	Cl5	111.044
O3	C1	Cl5	124.265	O4	C2	Cl6	124.265

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

using model chemistry: MP2/6-31G(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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