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	hartrees
Energy at 0K	-1149.653598
Energy at 298.15K	-1149.657791
HF Energy	-1148.553868
Nuclear repulsion energy	465.771801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3247	3076	5.20
2	A₁	3230	3060	5.58
3	A₁	1649	1562	4.24
4	A₁	1512	1432	57.32
5	A₁	1286	1218	1.38
6	A₁	1180	1118	24.67
7	A₁	1170	1108	10.28
8	A₁	1066	1010	5.28
9	A₁	672	637	13.37
10	A₁	487	461	5.03
11	A₁	201	191	0.00
12	A₂	970	919	0.00
13	A₂	870	824	0.00
14	A₂	634	600	0.00
15	A₂	510	483	0.00
16	A₂	138	130	0.00
17	B₁	954	903	1.16
18	B₁	769	729	54.67
19	B₁	442	419	4.52
20	B₁	236	223	1.00
21	B₂	3242	3071	3.80
22	B₂	3216	3047	0.94
23	B₂	1663	1575	6.63
24	B₂	1474	1397	16.87
25	B₂	1280	1213	3.04
26	B₂	1157	1096	2.06
27	B₂	1051	996	31.80
28	B₂	755	715	14.12
29	B₂	431	408	0.40
30	B₂	338	320	0.07

Atom	y (Å)	z (Å)
C1	0.704	-0.033
C2	-0.704	-0.033
C3	1.402	1.187
C4	-1.402	1.187
C5	0.703	2.402
C6	-0.703	2.402
Cl7	1.616	-1.521
Cl8	-1.616	-1.521
H9	2.496	1.169
H10	-2.496	1.169
H11	1.258	3.346
H12	-1.258	3.346

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4081	1.4059	2.4340	2.4356	2.8126	1.7446	2.7559	2.1579	3.4182	3.4244	3.9075
C2	1.4081		2.4340	1.4059	2.8126	2.4356	2.7559	1.7446	3.4182	2.1579	3.9075	3.4244
C3	1.4059	2.4340		2.8035	1.4019	2.4299	2.7162	4.0546	1.0940	3.8974	2.1636	3.4254
C4	2.4340	1.4059	2.8035		2.4299	1.4019	4.0546	2.7162	3.8974	1.0940	3.4254	2.1636
C5	2.4356	2.8126	1.4019	2.4299		1.4050	4.0278	4.5568	2.1760	3.4275	1.0950	2.1756
C6	2.8126	2.4356	2.4299	1.4019	1.4050		4.5568	4.0278	3.4275	2.1760	2.1756	1.0950
Cl7	1.7446	2.7559	2.7162	4.0546	4.0278	4.5568		3.2324	2.8300	4.9135	4.8797	5.6518
Cl8	2.7559	1.7446	4.0546	2.7162	4.5568	4.0278	3.2324		4.9135	2.8300	5.6518	4.8797
H9	2.1579	3.4182	1.0940	3.8974	2.1760	3.4275	2.8300	4.9135		4.9912	2.5039	4.3388
H10	3.4182	2.1579	3.8974	1.0940	3.4275	2.1760	4.9135	2.8300	4.9912		4.3388	2.5039
H11	3.4244	3.9075	2.1636	3.4254	1.0950	2.1756	4.8797	5.6518	2.5039	4.3388		2.5156
H12	3.9075	3.4244	3.4254	2.1636	2.1756	1.0950	5.6518	4.8797	4.3388	2.5039	2.5156

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.754	C1	C2	Cl8	121.524
C1	C3	C5	120.327	C1	C3	H9	118.823
C2	C1	C3	119.754	C2	C1	Cl7	121.524
C2	C4	C6	120.327	C2	C4	H10	118.823
C3	C1	Cl7	118.722	C3	C5	C6	119.919
C3	C5	H11	119.608	C4	C2	Cl8	118.722
C4	C6	C5	119.919	C4	C6	H12	119.608
C5	C3	H9	120.851	C5	C6	H12	120.473
C6	C4	H10	120.851	C6	C5	H11	120.473

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

using model chemistry: CCSD/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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All results from a given calculation for C6H4Cl2 (1,2-dichlorobenzene)

using model chemistry: CCSD/cc-pVDZ

States and conformations

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