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	hartrees
Energy at 0K	-1145.714587
Energy at 298.15K	-1145.715166
HF Energy	-1144.562693
Nuclear repulsion energy	327.651322

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1908	1803	0.00
2	A_g	1138	1075	0.00
3	A_g	639	604	0.00
4	A_g	450	425	0.00
5	A_g	293	277	0.00
6	A_u	402	380	18.55
7	A_u	28	26	0.85
8	B_g	748	707	0.00
9	B_u	1936	1828	398.41
10	B_u	803	759	495.88
11	B_u	514	486	6.59
12	B_u	209	198	3.86

Atom	x (Å)	y (Å)
C1	-0.168	0.755
C2	0.168	-0.755
O3	-1.264	1.184
O4	1.264	-1.184
Cl5	1.264	1.751
Cl6	-1.264	-1.751

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5477	1.1768	2.4110	1.7446	2.7358
C2	1.5477		2.4110	1.1768	2.7358	1.7446
O3	1.1768	2.4110		3.4641	2.5911	2.9354
O4	2.4110	1.1768	3.4641		2.9354	2.5911
Cl5	1.7446	2.7358	2.5911	2.9354		4.3198
Cl6	2.7358	1.7446	2.9354	2.5911	4.3198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	123.916	C1	C2	Cl6	112.259
C2	C1	O3	123.916	C2	C1	Cl5	112.259
O3	C1	Cl5	123.825	O4	C2	Cl6	123.825

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

using model chemistry: MP3/cc-pVTZ

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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