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	hartrees
Energy at 0K	-1144.776118
Energy at 298.15K	-1144.776409
HF Energy	-1144.215164
Nuclear repulsion energy	314.185898

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1637	1556	0.00
2	A_g	1030	979	0.00
3	A_g	585	556	0.00
4	A_g	394	375	0.00
5	A_g	271	258	0.00
6	A_u	381	362	21.71
7	A_u	37	35	0.06
8	B_g	692	657	0.00
9	B_u	1663	1580	284.66
10	B_u	695	661	480.35
11	B_u	448	426	23.06
12	B_u	203	192	6.51

Atom	x (Å)	y (Å)
C1	-0.184	0.746
C2	0.184	-0.746
O3	-1.324	1.199
O4	1.324	-1.199
Cl5	1.324	1.836
Cl6	-1.324	-1.836

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5372	1.2269	2.4618	1.8611	2.8229
C2	1.5372		2.4618	1.2269	2.8229	1.8611
O3	1.2269	2.4618		3.5733	2.7244	3.0352
O4	2.4618	1.2269	3.5733		3.0352	2.7244
Cl5	1.8611	2.8229	2.7244	3.0352		4.5279
Cl6	2.8229	1.8611	3.0352	2.7244	4.5279

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	125.527	C1	C2	Cl6	111.982
C2	C1	O3	125.527	C2	C1	Cl5	111.982
O3	C1	Cl5	122.491	O4	C2	Cl6	122.491

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

using model chemistry: MP2=FULL/6-31G

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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