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	hartrees
Energy at 0K	-1145.793387
Energy at 298.15K	-1145.793786
HF Energy	-1144.557241
Nuclear repulsion energy	324.777196

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	1757	1703
2	A_g	1065	1032
3	A_g	599	580
4	A_g	420	407
5	A_g	284	275
6	A_u	380	368
7	A_u	18	18
8	B_g	714	692
9	B_u	1771	1716
10	B_u	756	733
11	B_u	483	468
12	B_u	202	196

Atom	x (Å)	y (Å)
C1	-0.173	0.758
C2	0.173	-0.758
O3	-1.284	1.201
O4	1.284	-1.201
Cl5	1.284	1.747
Cl6	-1.284	-1.747

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5556	1.1958	2.4419	1.7611	2.7401
C2	1.5556		2.4419	1.1958	2.7401	1.7611
O3	1.1958	2.4419		3.5165	2.6256	2.9477
O4	2.4419	1.1958	3.5165		2.9477	2.6256
Cl5	1.7611	2.7401	2.6256	2.9477		4.3358
Cl6	2.7401	1.7611	2.9477	2.6256	4.3358

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.612	C1	C2	Cl6	111.267
C2	C1	O3	124.612	C2	C1	Cl5	111.267
O3	C1	Cl5	124.122	O4	C2	Cl6	124.122

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

using model chemistry: MP4/cc-pVTZ

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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