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	hartrees
Energy at 0K	-1149.965227
Energy at 298.15K	-1149.969420
HF Energy	-1148.648593
Nuclear repulsion energy	450.030605

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3248	3084	0.00
2	A_g	1622	1540	0.00
3	A_g	1192	1131	0.00
4	A_g	1127	1070	0.00
5	A_g	761	722	0.00
6	A_g	332	315	0.00
7	A_u	958	909	0.00
8	A_u	415	394	0.00
9	B_1g	828	787	0.00
10	B_1u	3232	3069	0.32
11	B_1u	1504	1428	97.69
12	B_1u	1122	1065	96.22
13	B_1u	1027	975	40.87
14	B_1u	564	536	23.44
15	B_2g	936	889	0.00
16	B_2g	687	652	0.00
17	B_2g	298	283	0.00
18	B_2u	3247	3083	0.16
19	B_2u	1469	1395	0.58
20	B_2u	1400	1330	5.33
21	B_2u	1117	1060	6.47
22	B_2u	220	209	0.81
23	B_3g	3234	3071	0.00
24	B_3g	1617	1535	0.00
25	B_3g	1307	1241	0.00
26	B_3g	630	598	0.00
27	B_3g	350	332	0.00
28	B_3u	830	788	53.97
29	B_3u	493	468	17.04
30	B_3u	102	97	0.36

Atom	y (Å)	z (Å)
C1	0.000	1.382
C2	0.000	-1.382
C3	1.211	0.696
C4	-1.211	0.696
C5	-1.211	-0.696
C6	1.211	-0.696
Cl7	0.000	3.115
Cl8	0.000	-3.115
H9	2.142	1.244
H10	-2.142	1.244
H11	-2.142	-1.244
H12	2.142	-1.244

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7642	1.3920	1.3920	2.4051	2.4051	1.7326	4.4969	2.1461	2.1461	3.3889	3.3889
C2	2.7642		2.4051	2.4051	1.3920	1.3920	4.4969	1.7326	3.3889	3.3889	2.1461	2.1461
C3	1.3920	2.4051		2.4221	2.7934	1.3916	2.7052	3.9984	1.0802	3.3973	3.8736	2.1517
C4	1.3920	2.4051	2.4221		1.3916	2.7934	2.7052	3.9984	3.3973	1.0802	2.1517	3.8736
C5	2.4051	1.3920	2.7934	1.3916		2.4221	3.9984	2.7052	3.8736	2.1517	1.0802	3.3973
C6	2.4051	1.3920	1.3916	2.7934	2.4221		3.9984	2.7052	2.1517	3.8736	3.3973	1.0802
Cl7	1.7326	4.4969	2.7052	2.7052	3.9984	3.9984		6.2295	2.8435	2.8435	4.8567	4.8567
Cl8	4.4969	1.7326	3.9984	3.9984	2.7052	2.7052	6.2295		4.8567	4.8567	2.8435	2.8435
H9	2.1461	3.3889	1.0802	3.3973	3.8736	2.1517	2.8435	4.8567		4.2834	4.9538	2.4884
H10	2.1461	3.3889	3.3973	1.0802	2.1517	3.8736	2.8435	4.8567	4.2834		2.4884	4.9538
H11	3.3889	2.1461	3.8736	2.1517	1.0802	3.3973	4.8567	2.8435	4.9538	2.4884		4.2834
H12	3.3889	2.1461	2.1517	3.8736	3.3973	1.0802	4.8567	2.8435	2.4884	4.9538	4.2834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.541	C1	C3	H9	119.950
C1	C4	C5	119.541	C1	C4	H10	119.950
C2	C5	C4	119.541	C2	C5	H11	119.950
C2	C6	C3	119.541	C2	C6	H12	119.950
C3	C1	C4	120.919	C3	C1	Cl7	119.541
C3	C6	H12	120.510	C4	C1	Cl7	119.541
C4	C5	H11	120.510	C5	C2	C6	120.919
C5	C2	Cl8	119.541	C5	C4	H10	120.510
C6	C2	Cl8	119.541	C6	C3	H9	120.510

All results from a given calculation for C₆H₄Cl₂ (1,4-dichlorobenzene)

using model chemistry: MP2/cc-pVTZ

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 (1,4-dichlorobenzene)

using model chemistry: MP2/cc-pVTZ

States and conformations

All results from a given calculation for C₆H₄Cl₂ (1,4-dichlorobenzene)