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	hartrees
Energy at 0K	-1150.898728
Energy at 298.15K	-1150.902605
HF Energy	-1150.530964
Nuclear repulsion energy	468.034284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3256	3096	4.99
2	A₁	3241	3082	6.05
3	A₁	1627	1547	4.54
4	A₁	1506	1432	59.76
5	A₁	1357	1291	1.42
6	A₁	1197	1139	0.32
7	A₁	1160	1103	46.13
8	A₁	1065	1012	10.85
9	A₁	674	641	15.25
10	A₁	484	460	7.11
11	A₁	203	193	0.02
12	A₂	957	910	0.00
13	A₂	850	809	0.00
14	A₂	523	498	0.00
15	A₂	308	292	0.00
16	A₂	131	125	0.00
17	B₁	939	893	1.40
18	B₁	761	724	75.14
19	B₁	434	413	5.11
20	B₁	230	218	1.50
21	B₂	3251	3092	3.39
22	B₂	3229	3071	1.16
23	B₂	1637	1557	9.78
24	B₂	1475	1403	18.09
25	B₂	1290	1226	3.73
26	B₂	1162	1105	1.70
27	B₂	1049	998	39.69
28	B₂	755	718	18.25
29	B₂	432	411	0.50
30	B₂	341	324	0.36

Atom	y (Å)	z (Å)
C1	0.700	-0.030
C2	-0.700	-0.030
C3	1.394	1.183
C4	-1.394	1.183
C5	0.698	2.391
C6	-0.698	2.391
Cl7	1.608	-1.515
Cl8	-1.608	-1.515
H9	2.476	1.167
H10	-2.476	1.167
H11	1.247	3.324
H12	-1.247	3.324

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4010	1.3977	2.4208	2.4206	2.7957	1.7405	2.7452	2.1417	3.3949	3.3983	3.8786
C2	1.4010		2.4208	1.3977	2.7957	2.4206	2.7452	1.7405	3.3949	2.1417	3.8786	3.3983
C3	1.3977	2.4208		2.7887	1.3936	2.4160	2.7067	4.0370	1.0823	3.8709	2.1457	3.4002
C4	2.4208	1.3977	2.7887		2.4160	1.3936	4.0370	2.7067	3.8709	1.0823	3.4002	2.1457
C5	2.4206	2.7957	1.3936	2.4160		1.3966	4.0102	4.5359	2.1586	3.4025	1.0829	2.1580
C6	2.7957	2.4206	2.4160	1.3936	1.3966		4.5359	4.0102	3.4025	2.1586	2.1580	1.0829
Cl7	1.7405	2.7452	2.7067	4.0370	4.0102	4.5359		3.2169	2.8187	4.8866	4.8523	5.6188
Cl8	2.7452	1.7405	4.0370	2.7067	4.5359	4.0102	3.2169		4.8866	2.8187	5.6188	4.8523
H9	2.1417	3.3949	1.0823	3.8709	2.1586	3.4025	2.8187	4.8866		4.9530	2.4827	4.3035
H10	3.3949	2.1417	3.8709	1.0823	3.4025	2.1586	4.8866	2.8187	4.9530		4.3035	2.4827
H11	3.3983	3.8786	2.1457	3.4002	1.0829	2.1580	4.8523	5.6188	2.4827	4.3035		2.4948
H12	3.8786	3.3983	3.4002	2.1457	2.1580	1.0829	5.6188	4.8523	4.3035	2.4827	2.4948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.765	C1	C2	Cl8	121.445
C1	C3	C5	120.271	C1	C3	H9	118.896
C2	C1	C3	119.765	C2	C1	Cl7	121.445
C2	C4	C6	120.271	C2	C4	H10	118.896
C3	C1	Cl7	118.790	C3	C5	C6	119.964
C3	C5	H11	119.567	C4	C2	Cl8	118.790
C4	C6	C5	119.964	C4	C6	H12	119.567
C5	C3	H9	120.833	C5	C6	H12	120.469
C6	C4	H10	120.833	C6	C5	H11	120.469

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

using model chemistry: B2PLYP=FULL/6-31+G**

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: B2PLYP=FULL/6-31+G**

States and conformations

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