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	hartrees
Energy at 0K	-1151.312390
Energy at 298.15K	-1151.316369
HF Energy	-1151.312390
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3186	3124	0.00
2	A₁	3175	3113	5.44
3	A₁	3143	3081	8.90
4	A₁	1590	1559	26.46
5	A₁	1424	1397	10.03
6	A₁	1112	1090	12.54
7	A₁	1079	1058	27.27
8	A₁	993	973	6.21
9	A₁	661	648	2.58
10	A₁	390	383	4.36
11	A₁	196	192	0.43
12	A₂	861	844	0.00
13	A₂	522	512	0.00
14	A₂	196	192	0.00
15	B₁	937	918	0.33
16	B₁	839	822	14.30
17	B₁	752	737	41.11
18	B₁	659	647	8.09
19	B₁	429	421	3.09
20	B₁	161	157	0.01
21	B₂	3171	3109	3.74
22	B₂	1591	1560	76.32
23	B₂	1472	1444	70.61
24	B₂	1346	1320	0.21
25	B₂	1281	1256	2.76
26	B₂	1178	1155	0.46
27	B₂	1083	1062	29.51
28	B₂	765	750	101.75
29	B₂	422	414	7.19
30	B₂	366	358	0.58

Atom	y (Å)	z (Å)
C1	0.000	2.086
C2	1.219	1.398
C3	-1.219	1.398
C4	1.200	-0.002
C5	-1.200	-0.002
C6	0.000	-0.723
Cl7	2.719	-0.887
Cl8	-2.719	-0.887
H9	0.000	3.176
H10	2.167	1.931
H11	-2.167	1.931
H12	0.000	-1.810

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.4001	1.4001	2.4087	2.4087	2.8091	4.0288	4.0288	1.0903	2.1729	2.1729	3.8960
C2	1.4001		2.4384	1.4001	2.7954	2.4462	2.7329	4.5529	2.1564	1.0881	3.4284	3.4316
C3	1.4001	2.4384		2.7954	1.4001	2.4462	4.5529	2.7329	2.1564	3.4284	1.0881	3.4316
C4	2.4087	1.4001	2.7954		2.4006	1.4001	1.7575	4.0179	3.3977	2.1621	3.8834	2.1699
C5	2.4087	2.7954	1.4001	2.4006		1.4001	4.0179	1.7575	3.3977	3.8834	2.1621	2.1699
C6	2.8091	2.4462	2.4462	1.4001	1.4001		2.7240	2.7240	3.8994	3.4270	3.4270	1.0870
Cl7	4.0288	2.7329	4.5529	1.7575	4.0179	2.7240		5.4381	4.8890	2.8718	5.6410	2.8715
Cl8	4.0288	4.5529	2.7329	4.0179	1.7575	2.7240	5.4381		4.8890	5.6410	2.8718	2.8715
H9	1.0903	2.1564	2.1564	3.3977	3.3977	3.8994	4.8890	4.8890		2.4995	2.4995	4.9863
H10	2.1729	1.0881	3.4284	2.1621	3.8834	3.4270	2.8718	5.6410	2.4995		4.3348	4.3239
H11	2.1729	3.4284	1.0881	3.8834	2.1621	3.4270	5.6410	2.8718	2.4995	4.3348		4.3239
H12	3.8960	3.4316	3.4316	2.1699	2.1699	1.0870	2.8715	2.8715	4.9863	4.3239	4.3239

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	118.783	C1	C2	H10	121.036
C1	C3	C5	118.783	C1	C3	H11	121.036
C2	C1	C3	121.057	C2	C1	H9	119.472
C2	C4	C6	121.553	C2	C4	Cl7	119.513
C3	C1	H9	119.472	C3	C5	C6	121.553
C3	C5	Cl8	119.513	C4	C2	H10	120.181
C4	C6	C5	118.271	C4	C6	H12	120.865
C5	C3	H11	120.181	C5	C6	H12	120.865
C6	C4	Cl7	118.934	C6	C5	Cl8	118.934

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

using model chemistry: B97D3/6-31G*

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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Number	Element	Mulliken
1	C	-0.134
2	C	-0.126
3	C	-0.126
4	C	-0.073
5	C	-0.073
6	C	-0.127
7	Cl	-0.003
8	Cl	-0.003
9	H	0.156
10	H	0.165
11	H	0.165
12	H	0.181

<r²>	432.680
(<r²>)^1/2	20.801

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

using model chemistry: B97D3/6-31G*

States and conformations

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