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	hartrees
Energy at 0K	-1141.033044
Energy at 298.15K	-1141.033543
HF Energy	-1140.778307
Nuclear repulsion energy	322.972692

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1730	1730	0.00
2	A_g	971	971	0.00
3	A_g	599	599	0.00
4	A_g	409	409	0.00
5	A_g	294	294	0.00
6	A_u	422	422	15.53
7	A_u	65	65	0.11
8	B_g	759	759	0.00
9	B_u	1756	1756	274.11
10	B_u	724	724	488.57
11	B_u	469	469	18.13
12	B_u	213	213	7.80

Atom	x (Å)	y (Å)
C1	-0.180	0.751
C2	0.180	-0.751
O3	-1.305	1.199
O4	1.305	-1.199
Cl5	1.305	1.737
Cl6	-1.305	-1.737

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5450	1.2105	2.4509	1.7817	2.7303
C2	1.5450		2.4509	1.2105	2.7303	1.7817
O3	1.2105	2.4509		3.5437	2.6639	2.9357
O4	2.4509	1.2105	3.5437		2.9357	2.6639
Cl5	1.7817	2.7303	2.6639	2.9357		4.3441
Cl6	2.7303	1.7817	2.9357	2.6639	4.3441

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	125.173	C1	C2	Cl6	110.112
C2	C1	O3	125.173	C2	C1	Cl5	110.112
O3	C1	Cl5	124.715	O4	C2	Cl6	124.715

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

using model chemistry: B2PLYP=FULL/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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