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	hartrees
Energy at 0K	-1147.117542
Energy at 298.15K	-1147.118081
HF Energy	-1147.117542
Nuclear repulsion energy	327.245818

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1901	1827	0.00
2	A_g	1094	1051	0.00
3	A_g	630	605	0.00
4	A_g	435	418	0.00
5	A_g	292	281	0.00
6	A_u	391	375	17.23
7	A_u	40	39	0.62
8	B_g	740	711	0.00
9	B_u	1925	1850	455.06
10	B_u	785	754	517.46
11	B_u	500	480	6.75
12	B_u	208	200	3.81

Atom	x (Å)	y (Å)
C1	-0.174	0.753
C2	0.174	-0.753
O3	-1.272	1.186
O4	1.272	-1.186
Cl5	1.272	1.741
Cl6	-1.272	-1.741

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5458	1.1810	2.4191	1.7510	2.7252
C2	1.5458		2.4191	1.1810	2.7252	1.7510
O3	1.1810	2.4191		3.4791	2.6043	2.9271
O4	2.4191	1.1810	3.4791		2.9271	2.6043
Cl5	1.7510	2.7252	2.6043	2.9271		4.3123
Cl6	2.7252	1.7510	2.9271	2.6043	4.3123

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	124.500	C1	C2	Cl6	111.351
C2	C1	O3	124.500	C2	C1	Cl5	111.351
O3	C1	Cl5	124.149	O4	C2	Cl6	124.149

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

using model chemistry: B1B95/cc-pVDZ

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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Number	Element	Mulliken
1	C	0.098
2	C	0.098
3	O	-0.089
4	O	-0.089
5	Cl	-0.009
6	Cl	-0.009

	x	y	z
x	8.870	2.150	0.000
y	2.150	7.432	0.000
z	0.000	0.000	3.128

<r²>	242.765
(<r²>)^1/2	15.581