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	hartrees
Energy at 0K	-1134.075562
Energy at 298.15K	-1134.075562
HF Energy	-1134.075562
Nuclear repulsion energy	315.387102

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1923	1698	0.00
2	A_g	1073	947	0.00
3	A_g	633	559	0.00
4	A_g	414	365	0.00
5	A_g	261	230	0.00
6	A_u	353	312	13.04
7	A_u	45	40	0.62
8	B_g	664	586	0.00
9	B_u	1934	1707	127.40
10	B_u	795	702	356.57
11	B_u	473	417	12.45
12	B_u	158	139	2.76

Atom	x (Å)	y (Å)
C1	-0.197	0.765
C2	0.197	-0.765
O3	-1.332	1.229
O4	1.332	-1.229
Cl5	1.332	1.785
Cl6	-1.332	-1.785

	C1	C2	O3	O4	Cl5	Cl6
C1		1.5806	1.2260	2.5135	1.8386	2.7914
C2	1.5806		2.5135	1.2260	2.7914	1.8386
O3	1.2260	2.5135		3.6254	2.7220	3.0142
O4	2.5135	1.2260	3.6254		3.0142	2.7220
Cl5	1.8386	2.7914	2.7220	3.0142		4.4550
Cl6	2.7914	1.8386	3.0142	2.7220	4.4550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	126.703	C1	C2	Cl6	109.219
C2	C1	O3	126.703	C2	C1	Cl5	109.219
O3	C1	Cl5	124.077	O4	C2	Cl6	124.077

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

using model chemistry: B1B95/STO-3G

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	0.207
2	C	0.207
3	O	-0.088
4	O	-0.088
5	Cl	-0.119
6	Cl	-0.119

	x	y	z
x	5.850	1.779	0.000
y	1.779	4.496	0.000
z	0.000	0.000	0.839

<r²>	256.933
(<r²>)^1/2	16.029