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	hartrees
Energy at 0K	-1145.352509
Energy at 298.15K	-1145.356799
HF Energy	-1145.076302
Nuclear repulsion energy	450.365671

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3258	3258	1.88
2	A₁	3253	3253	0.70
3	A₁	3226	3226	3.10
4	A₁	1600	1600	27.48
5	A₁	1458	1458	10.85
6	A₁	1154	1154	17.76
7	A₁	1113	1113	16.64
8	A₁	1040	1040	0.55
9	A₁	699	699	1.91
10	A₁	401	401	3.66
11	A₁	199	199	0.43
12	A₂	934	934	0.00
13	A₂	554	554	0.00
14	A₂	210	210	0.00
15	B₁	1003	1003	0.32
16	B₁	917	917	18.58
17	B₁	811	811	48.86
18	B₁	709	709	24.56
19	B₁	456	456	5.52
20	B₁	172	172	0.15
21	B₂	3247	3247	0.16
22	B₂	1602	1602	67.17
23	B₂	1523	1523	53.59
24	B₂	1368	1368	2.70
25	B₂	1300	1300	0.00
26	B₂	1242	1242	0.62
27	B₂	1116	1116	24.16
28	B₂	796	796	74.98
29	B₂	441	441	6.18
30	B₂	372	372	0.53

Atom	y (Å)	z (Å)
C1	0.000	2.085
C2	1.215	1.394
C3	-1.215	1.394
C4	1.199	-0.002
C5	-1.199	-0.002
C6	0.000	-0.716
Cl7	2.718	-0.887
Cl8	-2.718	-0.887
H9	0.000	3.168
H10	2.158	1.923
H11	-2.158	1.923
H12	0.000	-1.796

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3982	1.3982	2.4066	2.4066	2.8011	4.0270	4.0270	1.0823	2.1642	2.1642	3.8816
C2	1.3982		2.4304	1.3955	2.7881	2.4345	2.7308	4.5460	2.1502	1.0811	3.4145	3.4137
C3	1.3982	2.4304		2.7881	1.3955	2.4345	4.5460	2.7308	2.1502	3.4145	1.0811	3.4137
C4	2.4066	1.3955	2.7881		2.3971	1.3952	1.7580	4.0149	3.3883	2.1503	3.8691	2.1581
C5	2.4066	2.7881	1.3955	2.3971		1.3952	4.0149	1.7580	3.3883	3.8691	2.1503	2.1581
C6	2.8011	2.4345	2.4345	1.3952	1.3952		2.7229	2.7229	3.8834	3.4086	3.4086	1.0805
Cl7	4.0270	2.7308	4.5460	1.7580	4.0149	2.7229		5.4351	4.8807	2.8644	5.6271	2.8658
Cl8	4.0270	4.5460	2.7308	4.0149	1.7580	2.7229	5.4351		4.8807	5.6271	2.8644	2.8658
H9	1.0823	2.1502	2.1502	3.3883	3.3883	3.8834	4.8807	4.8807		2.4914	2.4914	4.9639
H10	2.1642	1.0811	3.4145	2.1503	3.8691	3.4086	2.8644	5.6271	2.4914		4.3162	4.2998
H11	2.1642	3.4145	1.0811	3.8691	2.1503	3.4086	5.6271	2.8644	2.4914	4.3162		4.2998
H12	3.8816	3.4137	3.4137	2.1581	2.1581	1.0805	2.8658	2.8658	4.9639	4.2998	4.2998

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.960	C1	C2	H10	121.069
C1	C3	C5	118.960	C1	C3	H11	121.069
C2	C1	C3	120.716	C2	C1	H9	119.642
C2	C4	C6	121.469	C2	C4	Cl7	119.542
C3	C1	H9	119.642	C3	C5	C6	121.469
C3	C5	Cl8	119.542	C4	C2	H10	119.971
C4	C6	C5	118.425	C4	C6	H12	120.787
C5	C3	H11	119.971	C5	C6	H12	120.787
C6	C4	Cl7	118.989	C6	C5	Cl8	118.989

All results from a given calculation for C₆H₄Cl₂ (1,3-dichlorobenzene)

using model chemistry: B2PLYP=FULL/3-21G*

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 (1,3-dichlorobenzene)

using model chemistry: B2PLYP=FULL/3-21G*

States and conformations

All results from a given calculation for C₆H₄Cl₂ (1,3-dichlorobenzene)