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	hartrees
Energy at 0K	-1139.284038
Energy at 298.15K	-1139.284302
HF Energy	-1138.729120
Nuclear repulsion energy	312.804083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1710	1633	0.00
2	A_g	929	887	0.00
3	A_g	564	538	0.00
4	A_g	370	354	0.00
5	A_g	266	254	0.00
6	A_u	403	384	19.07
7	A_u	57	54	0.43
8	B_g	718	685	0.00
9	B_u	1737	1658	298.57
10	B_u	653	623	501.39
11	B_u	422	403	40.77
12	B_u	201	192	10.81

Atom	x (Å)	y (Å)
C1	-0.222	0.738
C2	0.222	-0.738
O3	-1.348	1.181
O4	1.348	-1.181
Cl5	1.348	1.827
Cl6	-1.348	-1.827

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5410	1.2096	2.4792	1.9108	2.8007
C2	1.5410		2.4792	1.2096	2.8007	1.9108
O3	1.2096	2.4792		3.5840	2.7718	3.0079
O4	2.4792	1.2096	3.5840		3.0079	2.7718
Cl5	1.9108	2.8007	2.7718	3.0079		4.5404
Cl6	2.8007	1.9108	3.0079	2.7718	4.5404

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	128.267	C1	C2	Cl6	107.982
C2	C1	O3	128.267	C2	C1	Cl5	107.982
O3	C1	Cl5	123.751	O4	C2	Cl6	123.751

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

using model chemistry: MP2/3-21G

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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