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	hartrees
Energy at 0K	-429.596888
Energy at 298.15K	-429.601739
Nuclear repulsion energy	339.512198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3259	3118	0.00
2	A_g	1716	1641	0.00
3	A_g	1328	1271	0.00
4	A_g	1162	1111	0.00
5	A_g	879	841	0.00
6	A_g	455	435	0.00
7	A_u	970	928	0.00
8	A_u	431	412	0.00
9	B_1g	836	800	0.00
10	B_1u	3243	3102	4.74
11	B_1u	1587	1518	257.43
12	B_1u	1269	1214	142.30
13	B_1u	1033	989	3.40
14	B_1u	757	724	51.61
15	B_2g	936	896	0.00
16	B_2g	686	656	0.00
17	B_2g	388	371	0.00
18	B_2u	3258	3117	0.98
19	B_2u	1466	1402	0.84
20	B_2u	1312	1255	2.82
21	B_2u	1102	1055	13.88
22	B_2u	349	334	4.85
23	B_3g	3245	3104	0.00
24	B_3g	1694	1621	0.00
25	B_3g	1301	1244	0.00
26	B_3g	647	619	0.00
27	B_3g	444	425	0.00
28	B_3u	866	828	80.42
29	B_3u	529	507	11.23
30	B_3u	163	156	1.70

Atom	y (Å)	z (Å)
C1	0.000	1.383
C2	0.000	-1.383
C3	1.220	0.702
C4	-1.220	0.702
C5	-1.220	-0.702
C6	1.220	-0.702
F7	0.000	2.730
F8	0.000	-2.730
H9	2.155	1.269
H10	-2.155	1.269
H11	-2.155	-1.269
H12	2.155	-1.269

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		2.7652	1.3971	1.3971	2.4150	2.4150	1.3474	4.1126	2.1580	2.1580	3.4167	3.4167
C2	2.7652		2.4150	2.4150	1.3971	1.3971	4.1126	1.3474	3.4167	3.4167	2.1580	2.1580
C3	1.3971	2.4150		2.4398	2.8146	1.4033	2.3669	3.6420	1.0936	3.4223	3.9080	2.1810
C4	1.3971	2.4150	2.4398		1.4033	2.8146	2.3669	3.6420	3.4223	1.0936	2.1810	3.9080
C5	2.4150	1.3971	2.8146	1.4033		2.4398	3.6420	2.3669	3.9080	2.1810	1.0936	3.4223
C6	2.4150	1.3971	1.4033	2.8146	2.4398		3.6420	2.3669	2.1810	3.9080	3.4223	1.0936
F7	1.3474	4.1126	2.3669	2.3669	3.6420	3.6420		5.4600	2.6037	2.6037	4.5425	4.5425
F8	4.1126	1.3474	3.6420	3.6420	2.3669	2.3669	5.4600		4.5425	4.5425	2.6037	2.6037
H9	2.1580	3.4167	1.0936	3.4223	3.9080	2.1810	2.6037	4.5425		4.3100	5.0015	2.5375
H10	2.1580	3.4167	3.4223	1.0936	2.1810	3.9080	2.6037	4.5425	4.3100		2.5375	5.0015
H11	3.4167	2.1580	3.9080	2.1810	1.0936	3.4223	4.5425	2.6037	5.0015	2.5375		4.3100
H12	3.4167	2.1580	2.1810	3.9080	3.4223	1.0936	4.5425	2.6037	2.5375	5.0015	4.3100

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.170	C1	C3	H9	119.594
C1	C4	C5	119.170	C1	C4	H10	119.594
C2	C5	C4	119.170	C2	C5	H11	119.594
C2	C6	C3	119.170	C2	C6	H12	119.594
C3	C1	C4	121.661	C3	C1	F7	119.170
C3	C6	H12	121.236	C4	C1	F7	119.170
C4	C5	H11	121.236	C5	C2	C6	121.661
C5	C2	F8	119.170	C5	C4	H10	121.236
C6	C2	F8	119.170	C6	C3	H9	121.236

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

using model chemistry: CCD/cc-pVDZ

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: CCD/cc-pVDZ

States and conformations

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