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	hartrees
Energy at 0K	-1146.630434
Energy at 298.15K
HF Energy	-1146.250308
Nuclear repulsion energy	326.205673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1844	1844	0.00
2	A_g	1072	1072	0.00
3	A_g	619	619	0.00
4	A_g	428	428	0.00
5	A_g	289	289	0.00
6	A_u	394	394	17.74
7	A_u	34	34	0.44
8	B_g	741	741	0.00
9	B_u	1868	1868	369.97
10	B_u	764	764	525.19
11	B_u	491	491	7.80
12	B_u	207	207	4.20

Atom	x (Å)	y (Å)
C1	-0.176	0.754
C2	0.176	-0.754
O3	-1.276	1.190
O4	1.276	-1.190
Cl5	1.276	1.747
Cl6	-1.276	-1.747

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5481	1.1837	2.4264	1.7589	2.7320
C2	1.5481		2.4264	1.1837	2.7320	1.7589
O3	1.1837	2.4264		3.4901	2.6122	2.9370
O4	2.4264	1.1837	3.4901		2.9370	2.6122
Cl5	1.7589	2.7320	2.6122	2.9370		4.3265
Cl6	2.7320	1.7589	2.9370	2.6122	4.3265

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.757	C1	C2	Cl6	111.244
C2	C1	O3	124.757	C2	C1	Cl5	111.244
O3	C1	Cl5	123.999	O4	C2	Cl6	123.999

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

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

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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