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	hartrees
Energy at 0K	-1139.278458
Energy at 298.15K	-1139.278864
HF Energy	-1138.735271
Nuclear repulsion energy	316.001631

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1815	1815	0.00
2	A_g	1002	1002	0.00
3	A_g	598	598	0.00
4	A_g	395	395	0.00
5	A_g	274	274	0.00
6	A_u	411	411	20.38
7	A_u	60	60	0.06
8	B_g	729	729	0.00
9	B_u	1854	1854	321.73
10	B_u	696	696	429.92
11	B_u	448	448	12.34
12	B_u	205	205	7.17

Atom	x (Å)	y (Å)
C1	-0.207	0.737
C2	0.207	-0.737
O3	-1.324	1.168
O4	1.324	-1.168
Cl5	1.324	1.826
Cl6	-1.324	-1.826

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5309	1.1974	2.4444	1.8794	2.7958
C2	1.5309		2.4444	1.1974	2.7958	1.8794
O3	1.1974	2.4444		3.5319	2.7292	2.9942
O4	2.4444	1.1974	3.5319		2.9942	2.7292
Cl5	1.8794	2.7958	2.7292	2.9942		4.5114
Cl6	2.7958	1.8794	2.9942	2.7292	4.5114

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	126.825	C1	C2	Cl6	109.705
C2	C1	O3	126.825	C2	C1	Cl5	109.705
O3	C1	Cl5	123.470	O4	C2	Cl6	123.470

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

using model chemistry: MP3=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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