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	hartrees
Energy at 0K	-429.056649
Energy at 298.15K
HF Energy	-428.331437
Nuclear repulsion energy	331.868571

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	3238	3119	0.00	239.17	0.14	0.24
2	A_g	1606	1546	0.00	6.29	0.70	0.83
3	A_g	1202	1158	0.00	6.67	0.06	0.11
4	A_g	1171	1127	0.00	18.22	0.43	0.61
5	A_g	815	785	0.00	37.56	0.12	0.22
6	A_g	435	419	0.00	7.62	0.48	0.64
7	A_u	853	822	0.00	0.00	0.75	0.86
8	A_u	413	398	0.00	0.00	0.00	0.00
9	B_1g	781	752	0.00	0.31	0.75	0.86
10	B_1u	3214	3096	3.64	0.00	0.00	0.00
11	B_1u	1508	1452	154.76	0.00	0.00	0.00
12	B_1u	1167	1124	128.77	0.00	0.00	0.00
13	B_1u	1022	984	5.97	0.00	0.00	0.00
14	B_1u	692	667	56.97	0.00	0.00	0.00
15	B_2g	839	808	0.00	0.09	0.75	0.86
16	B_2g	602	580	0.00	0.00	0.75	0.86
17	B_2g	354	341	0.00	3.95	0.75	0.86
18	B_2u	3236	3117	2.30	0.00	0.00	0.00
19	B_2u	1407	1355	0.20	0.00	0.00	0.00
20	B_2u	1357	1307	0.00	0.00	0.00	0.00
21	B_2u	1110	1069	14.58	0.00	0.00	0.00
22	B_2u	316	304	8.92	0.00	0.00	0.00
23	B_3g	3216	3097	0.00	86.40	0.75	0.86
24	B_3g	1620	1560	0.00	11.33	0.75	0.86
25	B_3g	1320	1272	0.00	0.52	0.75	0.86
26	B_3g	637	613	0.00	10.13	0.75	0.86
27	B_3g	414	398	0.00	0.39	0.75	0.86
28	B_3u	819	788	122.96	0.00	0.00	0.00
29	B_3u	469	451	21.30	0.00	0.00	0.00
30	B_3u	150	144	4.07	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	1.382
C2	0.000	-1.382
C3	1.247	0.713
C4	-1.247	0.713
C5	-1.247	-0.713
C6	1.247	-0.713
F7	0.000	2.811
F8	0.000	-2.811
H9	2.177	1.284
H10	-2.177	1.284
H11	-2.177	-1.284
H12	2.177	-1.284

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		2.7633	1.4152	1.4152	2.4373	2.4373	1.4289	4.1923	2.1791	2.1791	3.4419	3.4419
C2	2.7633		2.4373	2.4373	1.4152	1.4152	4.1923	1.4289	3.4419	3.4419	2.1791	2.1791
C3	1.4152	2.4373		2.4940	2.8724	1.4250	2.4407	3.7373	1.0917	3.4714	3.9637	2.2027
C4	1.4152	2.4373	2.4940		1.4250	2.8724	2.4407	3.7373	3.4714	1.0917	2.2027	3.9637
C5	2.4373	1.4152	2.8724	1.4250		2.4940	3.7373	2.4407	3.9637	2.2027	1.0917	3.4714
C6	2.4373	1.4152	1.4250	2.8724	2.4940		3.7373	2.4407	2.2027	3.9637	3.4714	1.0917
F7	1.4289	4.1923	2.4407	2.4407	3.7373	3.7373		5.6212	2.6587	2.6587	4.6376	4.6376
F8	4.1923	1.4289	3.7373	3.7373	2.4407	2.4407	5.6212		4.6376	4.6376	2.6587	2.6587
H9	2.1791	3.4419	1.0917	3.4714	3.9637	2.2027	2.6587	4.6376		4.3539	5.0551	2.5686
H10	2.1791	3.4419	3.4714	1.0917	2.2027	3.9637	2.6587	4.6376	4.3539		2.5686	5.0551
H11	3.4419	2.1791	3.9637	2.2027	1.0917	3.4714	4.6376	2.6587	5.0551	2.5686		4.3539
H12	3.4419	2.1791	2.2027	3.9637	3.4714	1.0917	4.6376	2.6587	2.5686	5.0551	4.3539

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	118.219	C1	C3	H9	120.196
C1	C4	C5	118.219	C1	C4	H10	120.196
C2	C5	C4	118.219	C2	C5	H11	120.196
C2	C6	C3	118.219	C2	C6	H12	120.196
C3	C1	C4	123.563	C3	C1	F7	118.219
C3	C6	H12	121.585	C4	C1	F7	118.219
C4	C5	H11	121.585	C5	C2	C6	123.563
C5	C2	F8	118.219	C5	C4	H10	121.585
C6	C2	F8	118.219	C6	C3	H9	121.585

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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