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	hartrees
Energy at 0K	-1149.617492
Energy at 298.15K
HF Energy	-1148.513964
Nuclear repulsion energy	447.963113

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3281	3102	0.00
2	A_g	1676	1585	0.00
3	A_g	1226	1159	0.00
4	A_g	1140	1078	0.00
5	A_g	772	730	0.00
6	A_g	335	316	0.00
7	A_u	928	877	0.00
8	A_u	393	371	0.00
9	B_1g	825	780	0.00
10	B_1u	3265	3087	2.26
11	B_1u	1552	1467	92.24
12	B_1u	1147	1085	94.41
13	B_1u	1036	980	47.53
14	B_1u	561	531	23.93
15	B_2g	877	829	0.00
16	B_2g	279	264	0.00
17	B_2g	436i	412i	0.00
18	B_2u	3280	3101	4.12
19	B_2u	1453	1374	5.62
20	B_2u	1278	1208	0.43
21	B_2u	1147	1084	3.34
22	B_2u	222	210	0.84
23	B_3g	3266	3088	0.00
24	B_3g	1657	1567	0.00
25	B_3g	1344	1271	0.00
26	B_3g	645	609	0.00
27	B_3g	356	337	0.00
28	B_3u	796	753	68.41
29	B_3u	409	387	12.96
30	B_3u	98	92	0.29

Atom	y (Å)	z (Å)
C1	0.000	1.388
C2	0.000	-1.388
C3	1.214	0.698
C4	-1.214	0.698
C5	-1.214	-0.698
C6	1.214	-0.698
Cl7	0.000	3.133
Cl8	0.000	-3.133
H9	2.148	1.243
H10	-2.148	1.243
H11	-2.148	-1.243
H12	2.148	-1.243

	C1	C2	C3	C4	C5	C6	Cl7	Cl8	H9	H10	H11	H12
C1		2.7769	1.3960	1.3960	2.4141	2.4141	1.7445	4.5214	2.1528	2.1528	3.3970	3.3970
C2	2.7769		2.4141	2.4141	1.3960	1.3960	4.5214	1.7445	3.3970	3.3970	2.1528	2.1528
C3	1.3960	2.4141		2.4271	2.8005	1.3970	2.7202	4.0190	1.0816	3.4054	3.8821	2.1549
C4	1.3960	2.4141	2.4271		1.3970	2.8005	2.7202	4.0190	3.4054	1.0816	2.1549	3.8821
C5	2.4141	1.3960	2.8005	1.3970		2.4271	4.0190	2.7202	3.8821	2.1549	1.0816	3.4054
C6	2.4141	1.3960	1.3970	2.8005	2.4271		4.0190	2.7202	2.1549	3.8821	3.4054	1.0816
Cl7	1.7445	4.5214	2.7202	2.7202	4.0190	4.0190		6.2659	2.8608	2.8608	4.8750	4.8750
Cl8	4.5214	1.7445	4.0190	4.0190	2.7202	2.7202	6.2659		4.8750	4.8750	2.8608	2.8608
H9	2.1528	3.3970	1.0816	3.4054	3.8821	2.1549	2.8608	4.8750		4.2959	4.9637	2.4867
H10	2.1528	3.3970	3.4054	1.0816	2.1549	3.8821	2.8608	4.8750	4.2959		2.4867	4.9637
H11	3.3970	2.1528	3.8821	2.1549	1.0816	3.4054	4.8750	2.8608	4.9637	2.4867		4.2959
H12	3.3970	2.1528	2.1549	3.8821	3.4054	1.0816	4.8750	2.8608	2.4867	4.9637	4.2959

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.619	C1	C3	H9	120.134
C1	C4	C5	119.619	C1	C4	H10	120.134
C2	C5	C4	119.619	C2	C5	H11	120.134
C2	C6	C3	119.619	C2	C6	H12	120.134
C3	C1	C4	120.762	C3	C1	Cl7	119.619
C3	C6	H12	120.247	C4	C1	Cl7	119.619
C4	C5	H11	120.247	C5	C2	C6	120.762
C5	C2	Cl8	119.619	C5	C4	H10	120.247
C6	C2	Cl8	119.619	C6	C3	H9	120.247

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

using model chemistry: QCISD/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 (1,4-dichlorobenzene)

using model chemistry: QCISD/6-31+G**

States and conformations

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