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	hartrees
Energy at 0K	-429.544486
Energy at 298.15K
HF Energy	-428.409413
Nuclear repulsion energy	341.150128

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3324	3093	0.00
2	A_g	1729	1609	0.00
3	A_g	1340	1247	0.00
4	A_g	1192	1109	0.00
5	A_g	891	830	0.00
6	A_g	461	429	0.00
7	A_u	925	861	0.00
8	A_u	420	390	0.00
9	B_1g	822	765	0.00
10	B_1u	3310	3080	4.64
11	B_1u	1609	1497	242.15
12	B_1u	1288	1198	150.37
13	B_1u	1048	976	3.73
14	B_1u	762	709	47.55
15	B_2g	880	819	0.00
16	B_2g	528	491	0.00
17	B_2g	371	345	0.00
18	B_2u	3324	3093	1.28
19	B_2u	1491	1387	0.44
20	B_2u	1310	1219	2.13
21	B_2u	1131	1052	12.97
22	B_2u	351	327	5.19
23	B_3g	3311	3081	0.00
24	B_3g	1714	1595	0.00
25	B_3g	1333	1240	0.00
26	B_3g	657	611	0.00
27	B_3g	449	418	0.00
28	B_3u	831	773	90.28
29	B_3u	508	472	5.89
30	B_3u	163	152	1.93

Atom	y (Å)	z (Å)
C1	0.000	1.362
C2	0.000	-1.362
C3	1.216	0.696
C4	-1.216	0.696
C5	-1.216	-0.696
C6	1.216	-0.696
F7	0.000	2.717
F8	0.000	-2.717
H9	2.139	1.254
H10	-2.139	1.254
H11	-2.139	-1.254
H12	2.139	-1.254

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		2.7247	1.3865	1.3865	2.3911	2.3911	1.3550	4.0797	2.1416	2.1416	3.3795	3.3795
C2	2.7247		2.3911	2.3911	1.3865	1.3865	4.0797	1.3550	3.3795	3.3795	2.1416	2.1416
C3	1.3865	2.3911		2.4322	2.8027	1.3927	2.3587	3.6238	1.0783	3.4010	3.8808	2.1578
C4	1.3865	2.3911	2.4322		1.3927	2.8027	2.3587	3.6238	3.4010	1.0783	2.1578	3.8808
C5	2.3911	1.3865	2.8027	1.3927		2.4322	3.6238	2.3587	3.8808	2.1578	1.0783	3.4010
C6	2.3911	1.3865	1.3927	2.8027	2.4322		3.6238	2.3587	2.1578	3.8808	3.4010	1.0783
F7	1.3550	4.0797	2.3587	2.3587	3.6238	3.6238		5.4347	2.5914	2.5914	4.5109	4.5109
F8	4.0797	1.3550	3.6238	3.6238	2.3587	2.3587	5.4347		4.5109	4.5109	2.5914	2.5914
H9	2.1416	3.3795	1.0783	3.4010	3.8808	2.1578	2.5914	4.5109		4.2777	4.9589	2.5084
H10	2.1416	3.3795	3.4010	1.0783	2.1578	3.8808	2.5914	4.5109	4.2777		2.5084	4.9589
H11	3.3795	2.1416	3.8808	2.1578	1.0783	3.4010	4.5109	2.5914	4.9589	2.5084		4.2777
H12	3.3795	2.1416	2.1578	3.8808	3.4010	1.0783	4.5109	2.5914	2.5084	4.9589	4.2777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	118.709	C1	C3	H9	120.136
C1	C4	C5	118.709	C1	C4	H10	120.136
C2	C5	C4	118.709	C2	C5	H11	120.136
C2	C6	C3	118.709	C2	C6	H12	120.136
C3	C1	C4	122.583	C3	C1	F7	118.709
C3	C6	H12	121.155	C4	C1	F7	118.709
C4	C5	H11	121.155	C5	C2	C6	122.583
C5	C2	F8	118.709	C5	C4	H10	121.155
C6	C2	F8	118.709	C6	C3	H9	121.155

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

using model chemistry: MP3/6-31+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 C6H4F2 (1,4-difluorobenzene)

using model chemistry: MP3/6-31+G**

States and conformations

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