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	hartrees
Energy at 0K	-1135.893130
Energy at 298.15K	-1135.897469
HF Energy	-1135.893130
Nuclear repulsion energy	466.227146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3751	3063	11.41
2	A₁	3736	3050	6.07
3	A₁	1890	1544	0.64
4	A₁	1747	1427	62.32
5	A₁	1372	1120	28.79
6	A₁	1362	1112	0.29
7	A₁	1213	990	0.11
8	A₁	1143	933	1.33
9	A₁	766	625	13.28
10	A₁	544	444	6.23
11	A₁	206	168	0.47
12	A₂	1201	981	0.00
13	A₂	1053	860	0.00
14	A₂	836	683	0.00
15	A₂	588	480	0.00
16	A₂	160	131	0.00
17	B₁	1159	946	1.80
18	B₁	908	742	27.25
19	B₁	509	415	0.10
20	B₁	265	217	1.01
21	B₂	3743	3056	41.16
22	B₂	3721	3038	1.61
23	B₂	1907	1557	3.04
24	B₂	1706	1393	26.60
25	B₂	1464	1195	3.68
26	B₂	1324	1081	12.28
27	B₂	1214	991	27.61
28	B₂	871	711	10.85
29	B₂	473	386	2.28
30	B₂	365	298	0.52

Atom	y (Å)	z (Å)
C1	0.698	-0.009
C2	-0.698	-0.009
C3	1.392	1.196
C4	-1.392	1.196
C5	0.694	2.393
C6	-0.694	2.393
Cl7	1.617	-1.529
Cl8	-1.617	-1.529
H9	2.475	1.184
H10	-2.475	1.184
H11	1.238	3.329
H12	-1.238	3.329

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		1.3952	1.3905	2.4119	2.4022	2.7760	1.7762	2.7687	2.1404	3.3892	3.3816	3.8588
C2	1.3952		2.4119	1.3905	2.7760	2.4022	2.7687	1.7762	3.3892	2.1404	3.8588	3.3816
C3	1.3905	2.4119		2.7837	1.3860	2.4049	2.7340	4.0589	1.0828	3.8665	2.1388	3.3866
C4	2.4119	1.3905	2.7837		2.4049	1.3860	4.0589	2.7340	3.8665	1.0828	3.3866	2.1388
C5	2.4022	2.7760	1.3860	2.4049		1.3876	4.0292	4.5520	2.1525	3.3912	1.0828	2.1469
C6	2.7760	2.4022	2.4049	1.3860	1.3876		4.5520	4.0292	3.3912	2.1525	2.1469	1.0828
Cl7	1.7762	2.7687	2.7340	4.0589	4.0292	4.5520		3.2333	2.8455	4.9091	4.8727	5.6348
Cl8	2.7687	1.7762	4.0589	2.7340	4.5520	4.0292	3.2333		4.9091	2.8455	5.6348	4.8727
H9	2.1404	3.3892	1.0828	3.8665	2.1525	3.3912	2.8455	4.9091		4.9492	2.4757	4.2880
H10	3.3892	2.1404	3.8665	1.0828	3.3912	2.1525	4.9091	2.8455	4.9492		4.2880	2.4757
H11	3.3816	3.8588	2.1388	3.3866	1.0828	2.1469	4.8727	5.6348	2.4757	4.2880		2.4767
H12	3.8588	3.3816	3.3866	2.1388	2.1469	1.0828	5.6348	4.8727	4.2880	2.4757	2.4767

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	119.953	C1	C2	Cl8	121.159
C1	C3	C5	119.806	C1	C3	H9	119.337
C2	C1	C3	119.953	C2	C1	Cl7	121.159
C2	C4	C6	119.806	C2	C4	H10	119.337
C3	C1	Cl7	118.887	C3	C5	C6	120.241
C3	C5	H11	119.567	C4	C2	Cl8	118.887
C4	C6	C5	120.241	C4	C6	H12	119.567
C5	C3	H9	120.857	C5	C6	H12	120.193
C6	C4	H10	120.857	C6	C5	H11	120.193

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

using model chemistry: HF/STO-3G

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	0.049
2	C	0.049
3	C	-0.048
4	C	-0.048
5	C	-0.051
6	C	-0.051
7	Cl	-0.123
8	Cl	-0.123
9	H	0.092
10	H	0.092
11	H	0.081
12	H	0.081

<r²>	364.258
(<r²>)^1/2	19.086

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

using model chemistry: HF/STO-3G

States and conformations

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