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	hartrees
Energy at 0K	-1145.461885
Energy at 298.15K	-1145.462425
HF Energy	-1144.504315
Nuclear repulsion energy	325.688048

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1866	1781	0.00
2	A_g	1118	1066	0.00
3	A_g	630	601	0.00
4	A_g	442	421	0.00
5	A_g	294	280	0.00
6	A_u	396	378	19.20
7	A_u	28	27	0.67
8	B_g	733	700	0.00
9	B_u	1879	1793	386.89
10	B_u	790	754	509.39
11	B_u	509	485	6.52
12	B_u	210	201	4.13

Atom	x (Å)	y (Å)
C1	-0.169	0.761
C2	0.169	-0.761
O3	-1.271	1.196
O4	1.271	-1.196
Cl5	1.271	1.760
Cl6	-1.271	-1.760

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5587	1.1851	2.4300	1.7530	2.7513
C2	1.5587		2.4300	1.1851	2.7513	1.7530
O3	1.1851	2.4300		3.4914	2.6041	2.9565
O4	2.4300	1.1851	3.4914		2.9565	2.6041
Cl5	1.7530	2.7513	2.6041	2.9565		4.3423
Cl6	2.7513	1.7530	2.9565	2.6041	4.3423

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.094	C1	C2	Cl6	112.227
C2	C1	O3	124.094	C2	C1	Cl5	112.227
O3	C1	Cl5	123.679	O4	C2	Cl6	123.679

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

using model chemistry: QCISD/6-311G**

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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