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	hartrees
Energy at 0K	-429.064416
Energy at 298.15K	-429.068890
Nuclear repulsion energy	334.618405

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3202	3086	0.00
2	A_g	1650	1590	0.00
3	A_g	1253	1207	0.00
4	A_g	1190	1146	0.00
5	A_g	850	819	0.00
6	A_g	448	432	0.00
7	A_u	885	852	0.00
8	A_u	419	403	0.00
9	B_1g	796	767	0.00
10	B_1u	3185	3069	3.54
11	B_1u	1549	1492	141.03
12	B_1u	1227	1183	99.28
13	B_1u	1040	1002	3.53
14	B_1u	720	694	40.66
15	B_2g	842	811	0.00
16	B_2g	523	504	0.00
17	B_2g	357	344	0.00
18	B_2u	3200	3084	2.49
19	B_2u	1442	1390	0.05
20	B_2u	1267	1221	0.03
21	B_2u	1123	1082	9.56
22	B_2u	326	315	9.13
23	B_3g	3186	3070	0.00
24	B_3g	1650	1590	0.00
25	B_3g	1327	1279	0.00
26	B_3g	650	626	0.00
27	B_3g	428	412	0.00
28	B_3u	796	767	115.56
29	B_3u	476	459	6.23
30	B_3u	155	149	4.30

Atom	y (Å)	z (Å)
C1	0.000	1.376
C2	0.000	-1.376
C3	1.234	0.706
C4	-1.234	0.706
C5	-1.234	-0.706
C6	1.234	-0.706
F7	0.000	2.788
F8	0.000	-2.788
H9	2.165	1.275
H10	-2.165	1.275
H11	-2.165	-1.275
H12	2.165	-1.275

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		2.7515	1.4039	1.4039	2.4205	2.4205	1.4118	4.1633	2.1671	2.1671	3.4227	3.4227
C2	2.7515		2.4205	2.4205	1.4039	1.4039	4.1633	1.4118	3.4227	3.4227	2.1671	2.1671
C3	1.4039	2.4205		2.4682	2.8440	1.4130	2.4195	3.7056	1.0908	3.4462	3.9345	2.1895
C4	1.4039	2.4205	2.4682		1.4130	2.8440	2.4195	3.7056	3.4462	1.0908	2.1895	3.9345
C5	2.4205	1.4039	2.8440	1.4130		2.4682	3.7056	2.4195	3.9345	2.1895	1.0908	3.4462
C6	2.4205	1.4039	1.4130	2.8440	2.4682		3.7056	2.4195	2.1895	3.9345	3.4462	1.0908
F7	1.4118	4.1633	2.4195	2.4195	3.7056	3.7056		5.5751	2.6407	2.6407	4.6037	4.6037
F8	4.1633	1.4118	3.7056	3.7056	2.4195	2.4195	5.5751		4.6037	4.6037	2.6407	2.6407
H9	2.1671	3.4227	1.0908	3.4462	3.9345	2.1895	2.6407	4.6037		4.3296	5.0251	2.5508
H10	2.1671	3.4227	3.4462	1.0908	2.1895	3.9345	2.6407	4.6037	4.3296		2.5508	5.0251
H11	3.4227	2.1671	3.9345	2.1895	1.0908	3.4462	4.6037	2.6407	5.0251	2.5508		4.3296
H12	3.4227	2.1671	2.1895	3.9345	3.4462	1.0908	4.6037	2.6407	2.5508	5.0251	4.3296

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	118.472	C1	C3	H9	120.093
C1	C4	C5	118.472	C1	C4	H10	120.093
C2	C5	C4	118.472	C2	C5	H11	120.093
C2	C6	C3	118.472	C2	C6	H12	120.093
C3	C1	C4	123.056	C3	C1	F7	118.472
C3	C6	H12	121.435	C4	C1	F7	118.472
C4	C5	H11	121.435	C5	C2	C6	123.056
C5	C2	F8	118.472	C5	C4	H10	121.435
C6	C2	F8	118.472	C6	C3	H9	121.435

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

using model chemistry: QCISD/6-31G

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: QCISD/6-31G

States and conformations

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