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	hartrees
Energy at 0K	-1146.594436
Energy at 298.15K	-1146.594908
HF Energy	-1146.287580
Nuclear repulsion energy	324.442691

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1839	1763	0.00
2	A_g	1074	1029	0.00
3	A_g	614	588	0.00
4	A_g	424	406	0.00
5	A_g	289	277	0.00
6	A_u	390	374	16.91
7	A_u	33	32	0.44
8	B_g	731	701	0.00
9	B_u	1861	1783	395.18
10	B_u	760	728	516.02
11	B_u	487	467	9.18
12	B_u	206	198	4.00

Atom	x (Å)	y (Å)
C1	-0.177	0.756
C2	0.177	-0.756
O3	-1.282	1.195
O4	1.282	-1.195
Cl5	1.282	1.759
Cl6	-1.282	-1.759

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5535	1.1892	2.4362	1.7704	2.7475
C2	1.5535		2.4362	1.1892	2.7475	1.7704
O3	1.1892	2.4362		3.5050	2.6260	2.9534
O4	2.4362	1.1892	3.5050		2.9534	2.6260
Cl5	1.7704	2.7475	2.6260	2.9534		4.3534
Cl6	2.7475	1.7704	2.9534	2.6260	4.3534

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.778	C1	C2	Cl6	111.335
C2	C1	O3	124.778	C2	C1	Cl5	111.335
O3	C1	Cl5	123.888	O4	C2	Cl6	123.888

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

using model chemistry: B2PLYP=FULL/cc-pVDZ

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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