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	hartrees
Energy at 0K	-1146.527732
Energy at 298.15K	-1146.528190
HF Energy	-1146.222440
Nuclear repulsion energy	324.960779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1840	1745	0.00
2	A_g	1087	1031	0.00
3	A_g	618	587	0.00
4	A_g	429	406	0.00
5	A_g	291	276	0.00
6	A_u	389	369	20.26
7	A_u	33	31	0.61
8	B_g	721	684	0.00
9	B_u	1863	1767	371.23
10	B_u	773	733	519.55
11	B_u	493	468	8.79
12	B_u	209	198	4.22

Atom	x (Å)	y (Å)
C1	-0.170	0.757
C2	0.170	-0.757
O3	-1.280	1.195
O4	1.280	-1.195
Cl5	1.280	1.756
Cl6	-1.280	-1.756

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5510	1.1925	2.4309	1.7611	2.7467
C2	1.5510		2.4309	1.1925	2.7467	1.7611
O3	1.1925	2.4309		3.5011	2.6200	2.9508
O4	2.4309	1.1925	3.5011		2.9508	2.6200
Cl5	1.7611	2.7467	2.6200	2.9508		4.3458
Cl6	2.7467	1.7611	2.9508	2.6200	4.3458

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.246	C1	C2	Cl6	111.892
C2	C1	O3	124.246	C2	C1	Cl5	111.892
O3	C1	Cl5	123.862	O4	C2	Cl6	123.862

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

using model chemistry: B2PLYP=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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