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	hartrees
Energy at 0K	-1150.970228
Energy at 298.15K	-1150.974417
HF Energy	-1150.592784
Nuclear repulsion energy	450.160530

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3245	3121	1.14
2	A₁	3240	3116	1.16
3	A₁	3212	3089	4.17
4	A₁	1616	1554	23.29
5	A₁	1432	1378	14.91
6	A₁	1137	1094	20.93
7	A₁	1094	1052	16.36
8	A₁	1007	969	4.03
9	A₁	670	645	1.94
10	A₁	400	384	2.98
11	A₁	196	189	0.33
12	A₂	894	860	0.00
13	A₂	545	524	0.00
14	A₂	203	195	0.00
15	B₁	973	936	0.00
16	B₁	864	831	10.57
17	B₁	776	746	46.13
18	B₁	671	645	10.41
19	B₁	444	427	4.85
20	B₁	168	161	0.11
21	B₂	3236	3112	0.28
22	B₂	1616	1554	77.43
23	B₂	1478	1421	71.92
24	B₂	1365	1313	0.02
25	B₂	1286	1237	3.67
26	B₂	1179	1134	0.25
27	B₂	1099	1057	21.53
28	B₂	789	759	82.19
29	B₂	430	414	4.33
30	B₂	366	352	0.39

Atom	y (Å)	z (Å)
C1	0.000	2.085
C2	1.219	1.396
C3	-1.219	1.396
C4	1.198	-0.002
C5	-1.198	-0.002
C6	0.000	-0.723
Cl7	2.715	-0.886
Cl8	-2.715	-0.886
H9	0.000	3.174
H10	2.167	1.929
H11	-2.167	1.929
H12	0.000	-1.810

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3998	1.3998	2.4061	2.4061	2.8074	4.0243	4.0243	1.0898	2.1726	2.1726	3.8946
C2	1.3998		2.4371	1.3979	2.7917	2.4440	2.7285	4.5473	2.1561	1.0879	3.4272	3.4294
C3	1.3998	2.4371		2.7917	1.3979	2.4440	4.5473	2.7285	2.1561	3.4272	1.0879	3.4294
C4	2.4061	1.3979	2.7917		2.3960	1.3981	1.7556	4.0115	3.3949	2.1603	3.8796	2.1688
C5	2.4061	2.7917	1.3979	2.3960		1.3981	4.0115	1.7556	3.3949	3.8796	2.1603	2.1688
C6	2.8074	2.4440	2.4440	1.3981	1.3981		2.7198	2.7198	3.8972	3.4244	3.4244	1.0871
Cl7	4.0243	2.7285	4.5473	1.7556	4.0115	2.7198		5.4299	4.8844	2.8674	5.6352	2.8679
Cl8	4.0243	4.5473	2.7285	4.0115	1.7556	2.7198	5.4299		4.8844	5.6352	2.8674	2.8679
H9	1.0898	2.1561	2.1561	3.3949	3.3949	3.8972	4.8844	4.8844		2.4995	2.4995	4.9844
H10	2.1726	1.0879	3.4272	2.1603	3.8796	3.4244	2.8674	5.6352	2.4995		4.3340	4.3213
H11	2.1726	3.4272	1.0879	3.8796	2.1603	3.4244	5.6352	2.8674	2.4995	4.3340		4.3213
H12	3.8946	3.4294	3.4294	2.1688	2.1688	1.0871	2.8679	2.8679	4.9844	4.3213	4.3213

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.639	C1	C2	H10	121.185
C1	C3	C5	118.639	C1	C3	H11	121.185
C2	C1	C3	121.037	C2	C1	H9	119.481
C2	C4	C6	121.874	C2	C4	Cl7	119.385
C3	C1	H9	119.481	C3	C5	C6	121.874
C3	C5	Cl8	119.385	C4	C2	H10	120.176
C4	C6	C5	117.936	C4	C6	H12	121.032
C5	C3	H11	120.176	C5	C6	H12	121.032
C6	C4	Cl7	118.741	C6	C5	Cl8	118.741

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

using model chemistry: B2PLYP=FULL/aug-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 (1,3-dichlorobenzene)

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

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