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	hartrees
Energy at 0K	-1140.749890
Energy at 298.15K
HF Energy	-1140.551535
Nuclear repulsion energy	315.709822

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1785	1785	0.00
2	A_g	942	942	0.00
3	A_g	582	582	0.00
4	A_g	379	379	0.00
5	A_g	273	273	0.00
6	A_u	407	407	18.39
7	A_u	56	56	0.17
8	B_g	727	727	0.00
9	B_u	1809	1809	306.01
10	B_u	669	669	474.46
11	B_u	432	432	23.37
12	B_u	205	205	7.95

Atom	x (Å)	y (Å)
C1	-0.218	0.733
C2	0.218	-0.733
O3	-1.335	1.172
O4	1.335	-1.172
Cl5	1.335	1.809
Cl6	-1.335	-1.809

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5293	1.2006	2.4580	1.8895	2.7764
C2	1.5293		2.4580	1.2006	2.7764	1.8895
O3	1.2006	2.4580		3.5535	2.7456	2.9806
O4	2.4580	1.2006	3.5535		2.9806	2.7456
Cl5	1.8895	2.7764	2.7456	2.9806		4.4964
Cl6	2.7764	1.8895	2.9806	2.7456	4.4964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	128.013	C1	C2	Cl6	108.142
C2	C1	O3	128.013	C2	C1	Cl5	108.142
O3	C1	Cl5	123.845	O4	C2	Cl6	123.845

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

using model chemistry: B2PLYP=FULLultrafine/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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