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	hartrees
Energy at 0K	-1146.703923
Energy at 298.15K
HF Energy	-1146.351905
Nuclear repulsion energy	324.544115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1821	1821	0.00
2	A_g	1054	1054	0.00
3	A_g	610	610	0.00
4	A_g	425	425	0.00
5	A_g	285	285	0.00
6	A_u	383	383	17.36
7	A_u	11i	11i	0.76
8	B_g	715	715	0.00
9	B_u	1850	1850	417.59
10	B_u	757	757	524.19
11	B_u	491	491	10.58
12	B_u	207	207	3.78

Atom	x (Å)	y (Å)
C1	-0.176	0.757
C2	0.176	-0.757
O3	-1.277	1.191
O4	1.277	-1.191
Cl5	1.277	1.769
Cl6	-1.277	-1.769

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5549	1.1836	2.4303	1.7706	2.7561
C2	1.5549		2.4303	1.1836	2.7561	1.7706
O3	1.1836	2.4303		3.4924	2.6188	2.9601
O4	2.4303	1.1836	3.4924		2.9601	2.6188
Cl5	1.7706	2.7561	2.6188	2.9601		4.3640
Cl6	2.7561	1.7706	2.9601	2.6188	4.3640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.561	C1	C2	Cl6	111.785
C2	C1	O3	124.561	C2	C1	Cl5	111.785
O3	C1	Cl5	123.653	O4	C2	Cl6	123.653

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

using model chemistry: B2PLYP=FULLultrafine/TZVP

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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