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	hartrees
Energy at 0K	-1139.338484
Energy at 298.15K	-1139.338611
HF Energy	-1138.725014
Nuclear repulsion energy	310.472209

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	1693	1657
2	A_g	892	873
3	A_g	531	520
4	A_g	355	348
5	A_g	256	251
6	A_u	387	379
7	A_u	52	51
8	B_g	690	675
9	B_u	1707	1671
10	B_u	632	618
11	B_u	404	395
12	B_u	193	189

Atom	x (Å)	y (Å)
C1	-0.228	0.744
C2	0.228	-0.744
O3	-1.359	1.186
O4	1.359	-1.186
Cl5	1.359	1.840
Cl6	-1.359	-1.840

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5571	1.2143	2.4996	1.9291	2.8210
C2	1.5571		2.4996	1.2143	2.8210	1.9291
O3	1.2143	2.4996		3.6084	2.7964	3.0262
O4	2.4996	1.2143	3.6084		3.0262	2.7964
Cl5	1.9291	2.8210	2.7964	3.0262		4.5754
Cl6	2.8210	1.9291	3.0262	2.7964	4.5754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	128.395	C1	C2	Cl6	107.554
C2	C1	O3	128.395	C2	C1	Cl5	107.554
O3	C1	Cl5	124.051	O4	C2	Cl6	124.051

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

using model chemistry: MP4=FULL/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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