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	hartrees
Energy at 0K	-430.149256
Energy at 298.15K
HF Energy	-428.576022
Nuclear repulsion energy	342.294531

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_g	3256	3256	0.00	275.69	0.14	0.24
2	A_g	1665	1665	0.00	5.15	0.64	0.78
3	A_g	1298	1298	0.00	24.36	0.08	0.14
4	A_g	1167	1167	0.00	6.66	0.62	0.77
5	A_g	869	869	0.00	36.36	0.06	0.12
6	A_g	454	454	0.00	5.00	0.40	0.57
7	A_u	966	966	0.00	0.00	0.00	0.00
8	A_u	441	441	0.00	0.00	0.00	0.00
9	B_1g	826	826	0.00	0.04	0.75	0.86
10	B_1u	3241	3241	1.87	0.00	0.69	0.82
11	B_1u	1555	1555	260.26	0.00	0.00	0.00
12	B_1u	1247	1247	173.46	0.00	0.00	0.00
13	B_1u	1032	1032	2.22	0.00	0.00	0.00
14	B_1u	759	759	55.35	0.00	0.00	0.00
15	B_2g	927	927	0.00	0.05	0.75	0.86
16	B_2g	694	694	0.00	0.72	0.75	0.86
17	B_2g	382	382	0.00	2.91	0.75	0.86
18	B_2u	3255	3255	0.15	0.00	0.54	0.70
19	B_2u	1475	1475	0.92	0.00	0.50	0.66
20	B_2u	1436	1436	0.04	0.00	0.50	0.67
21	B_2u	1109	1109	12.30	0.00	0.49	0.66
22	B_2u	350	350	4.18	0.00	0.00	0.00
23	B_3g	3244	3244	0.00	107.24	0.75	0.86
24	B_3g	1663	1663	0.00	5.81	0.75	0.86
25	B_3g	1303	1303	0.00	1.55	0.75	0.86
26	B_3g	642	642	0.00	6.50	0.75	0.86
27	B_3g	445	445	0.00	0.03	0.75	0.86
28	B_3u	864	864	77.60	0.00	0.00	0.00
29	B_3u	526	526	18.16	0.00	0.00	0.00
30	B_3u	162	162	1.45	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	1.366
C2	0.000	-1.366
C3	1.211	0.695
C4	-1.211	0.695
C5	-1.211	-0.695
C6	1.211	-0.695
F7	0.000	2.710
F8	0.000	-2.710
H9	2.132	1.255
H10	-2.132	1.255
H11	-2.132	-1.255
H12	2.132	-1.255

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		2.7313	1.3841	1.3841	2.3904	2.3904	1.3443	4.0756	2.1346	2.1346	3.3780	3.3780
C2	2.7313		2.3904	2.3904	1.3841	1.3841	4.0756	1.3443	3.3780	3.3780	2.1346	2.1346
C3	1.3841	2.3904		2.4218	2.7927	1.3907	2.3505	3.6142	1.0774	3.3892	3.8699	2.1566
C4	1.3841	2.3904	2.4218		1.3907	2.7927	2.3505	3.6142	3.3892	1.0774	2.1566	3.8699
C5	2.3904	1.3841	2.7927	1.3907		2.4218	3.6142	2.3505	3.8699	2.1566	1.0774	3.3892
C6	2.3904	1.3841	1.3907	2.7927	2.4218		3.6142	2.3505	2.1566	3.8699	3.3892	1.0774
F7	1.3443	4.0756	2.3505	2.3505	3.6142	3.6142		5.4198	2.5811	2.5811	4.5014	4.5014
F8	4.0756	1.3443	3.6142	3.6142	2.3505	2.3505	5.4198		4.5014	4.5014	2.5811	2.5811
H9	2.1346	3.3780	1.0774	3.3892	3.8699	2.1566	2.5811	4.5014		4.2635	4.9472	2.5095
H10	2.1346	3.3780	3.3892	1.0774	2.1566	3.8699	2.5811	4.5014	4.2635		2.5095	4.9472
H11	3.3780	2.1346	3.8699	2.1566	1.0774	3.3892	4.5014	2.5811	4.9472	2.5095		4.2635
H12	3.3780	2.1346	2.1566	3.8699	3.3892	1.0774	4.5014	2.5811	2.5095	4.9472	4.2635

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	118.966	C1	C3	H9	119.756
C1	C4	C5	118.966	C1	C4	H10	119.756
C2	C5	C4	118.966	C2	C5	H11	119.756
C2	C6	C3	118.966	C2	C6	H12	119.756
C3	C1	C4	122.067	C3	C1	F7	118.966
C3	C6	H12	121.278	C4	C1	F7	118.966
C4	C5	H11	121.278	C5	C2	C6	122.067
C5	C2	F8	118.966	C5	C4	H10	121.278
C6	C2	F8	118.966	C6	C3	H9	121.278

All results from a given calculation for C₆H₄F₂ (1,4-difluorobenzene)

using model chemistry: MP2=FULL/Def2TZVPP

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 C6H4F2 (1,4-difluorobenzene)

using model chemistry: MP2=FULL/Def2TZVPP

States and conformations

All results from a given calculation for C₆H₄F₂ (1,4-difluorobenzene)