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	hartrees
Energy at 0K	-1149.567373
Energy at 298.15K	-1149.571476
HF Energy	-1148.495428
Nuclear repulsion energy	468.059207

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3236	3082	6.54
2	A₁	3221	3067	7.25
3	A₁	1663	1584	3.50
4	A₁	1534	1461	58.65
5	A₁	1289	1227	0.79
6	A₁	1208	1151	2.09
7	A₁	1186	1130	30.73
8	A₁	1080	1029	6.08
9	A₁	682	649	13.94
10	A₁	491	467	5.39
11	A₁	207	197	0.00
12	A₂	916	872	0.00
13	A₂	847	807	0.00
14	A₂	566	539	0.00
15	A₂	503	479	0.00
16	A₂	138	131	0.00
17	B₁	914	870	1.42
18	B₁	763	727	65.45
19	B₁	440	419	3.82
20	B₁	236	225	0.77
21	B₂	3232	3077	5.27
22	B₂	3208	3055	1.22
23	B₂	1676	1596	6.02
24	B₂	1495	1424	19.43
25	B₂	1306	1243	2.71
26	B₂	1180	1124	2.48
27	B₂	1062	1011	34.27
28	B₂	765	729	14.00
29	B₂	437	416	0.38
30	B₂	344	327	0.10

Atom	y (Å)	z (Å)
C1	0.700	-0.032
C2	-0.700	-0.032
C3	1.394	1.182
C4	-1.394	1.182
C5	0.698	2.389
C6	-0.698	2.389
Cl7	1.609	-1.514
Cl8	-1.609	-1.514
H9	2.481	1.165
H10	-2.481	1.165
H11	1.250	3.328
H12	-1.250	3.328

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3995	1.3981	2.4200	2.4209	2.7957	1.7390	2.7439	2.1463	3.3988	3.4039	3.8839
C2	1.3995		2.4200	1.3981	2.7957	2.4209	2.7439	1.7390	3.3988	2.1463	3.8839	3.4039
C3	1.3981	2.4200		2.7881	1.3935	2.4159	2.7041	4.0357	1.0874	3.8755	2.1505	3.4050
C4	2.4200	1.3981	2.7881		2.4159	1.3935	4.0357	2.7041	3.8755	1.0874	3.4050	2.1505
C5	2.4209	2.7957	1.3935	2.4159		1.3970	4.0079	4.5343	2.1627	3.4073	1.0882	2.1624
C6	2.7957	2.4209	2.4159	1.3935	1.3970		4.5343	4.0079	3.4073	2.1627	2.1624	1.0882
Cl7	1.7390	2.7439	2.7041	4.0357	4.0079	4.5343		3.2188	2.8173	4.8899	4.8546	5.6225
Cl8	2.7439	1.7390	4.0357	2.7041	4.5343	4.0079	3.2188		4.8899	2.8173	5.6225	4.8546
H9	2.1463	3.3988	1.0874	3.8755	2.1627	3.4073	2.8173	4.8899		4.9628	2.4884	4.3125
H10	3.3988	2.1463	3.8755	1.0874	3.4073	2.1627	4.8899	2.8173	4.9628		4.3125	2.4884
H11	3.4039	3.8839	2.1505	3.4050	1.0882	2.1624	4.8546	5.6225	2.4884	4.3125		2.4996
H12	3.8839	3.4039	3.4050	2.1505	2.1624	1.0882	5.6225	4.8546	4.3125	2.4884	2.4996

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.777	C1	C2	Cl8	121.540
C1	C3	C5	120.278	C1	C3	H9	118.901
C2	C1	C3	119.777	C2	C1	Cl7	121.540
C2	C4	C6	120.278	C2	C4	H10	118.901
C3	C1	Cl7	118.683	C3	C5	C6	119.945
C3	C5	H11	119.615	C4	C2	Cl8	118.683
C4	C6	C5	119.945	C4	C6	H12	119.615
C5	C3	H9	120.821	C5	C6	H12	120.440
C6	C4	H10	120.821	C6	C5	H11	120.440

All results from a given calculation for C₆H₄Cl₂ (1,2-dichlorobenzene)

using model chemistry: QCISD/6-31G*

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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All results from a given calculation for C6H4Cl2 (1,2-dichlorobenzene)

using model chemistry: QCISD/6-31G*

States and conformations

All results from a given calculation for C₆H₄Cl₂ (1,2-dichlorobenzene)