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	hartrees
Energy at 0K	-430.317537
Energy at 298.15K
HF Energy	-429.946097
Nuclear repulsion energy	340.911193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3261	3093	0.00
2	A_g	1686	1599	0.00
3	A_g	1309	1242	0.00
4	A_g	1181	1120	0.00
5	A_g	878	833	0.00
6	A_g	456	433	0.00
7	A_u	935	887	0.00
8	A_u	432	410	0.00
9	B_1g	814	772	0.00
10	B_1u	3248	3080	5.74
11	B_1u	1573	1492	236.70
12	B_1u	1263	1198	159.99
13	B_1u	1039	985	2.08
14	B_1u	753	714	49.80
15	B_2g	905	858	0.00
16	B_2g	654	620	0.00
17	B_2g	380	360	0.00
18	B_2u	3261	3092	1.74
19	B_2u	1466	1390	0.31
20	B_2u	1376	1305	0.65
21	B_2u	1123	1065	12.49
22	B_2u	347	329	4.40
23	B_3g	3250	3082	0.00
24	B_3g	1676	1590	0.00
25	B_3g	1319	1251	0.00
26	B_3g	650	617	0.00
27	B_3g	446	423	0.00
28	B_3u	839	796	81.85
29	B_3u	516	490	8.55
30	B_3u	163	154	1.55

Atom	y (Å)	z (Å)
C1	0.000	1.370
C2	0.000	-1.370
C3	1.216	0.697
C4	-1.216	0.697
C5	-1.216	-0.697
C6	1.216	-0.697
F7	0.000	2.721
F8	0.000	-2.721
H9	2.141	1.262
H10	-2.141	1.262
H11	-2.141	-1.262
H12	2.141	-1.262

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		2.7392	1.3895	1.3895	2.3980	2.3980	1.3514	4.0905	2.1434	2.1434	3.3921	3.3921
C2	2.7392		2.3980	2.3980	1.3895	1.3895	4.0905	1.3514	3.3921	3.3921	2.1434	2.1434
C3	1.3895	2.3980		2.4320	2.8034	1.3945	2.3609	3.6281	1.0834	3.4038	3.8865	2.1663
C4	1.3895	2.3980	2.4320		1.3945	2.8034	2.3609	3.6281	3.4038	1.0834	2.1663	3.8865
C5	2.3980	1.3895	2.8034	1.3945		2.4320	3.6281	2.3609	3.8865	2.1663	1.0834	3.4038
C6	2.3980	1.3895	1.3945	2.8034	2.4320		3.6281	2.3609	2.1663	3.8865	3.4038	1.0834
F7	1.3514	4.0905	2.3609	2.3609	3.6281	3.6281		5.4419	2.5907	2.5907	4.5215	4.5215
F8	4.0905	1.3514	3.6281	3.6281	2.3609	2.3609	5.4419		4.5215	4.5215	2.5907	2.5907
H9	2.1434	3.3921	1.0834	3.4038	3.8865	2.1663	2.5907	4.5215		4.2814	4.9697	2.5234
H10	2.1434	3.3921	3.4038	1.0834	2.1663	3.8865	2.5907	4.5215	4.2814		2.5234	4.9697
H11	3.3921	2.1434	3.8865	2.1663	1.0834	3.4038	4.5215	2.5907	4.9697	2.5234		4.2814
H12	3.3921	2.1434	2.1663	3.8865	3.4038	1.0834	4.5215	2.5907	2.5234	4.9697	4.2814

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	118.938	C1	C3	H9	119.662
C1	C4	C5	118.938	C1	C4	H10	119.662
C2	C5	C4	118.938	C2	C5	H11	119.662
C2	C6	C3	118.938	C2	C6	H12	119.662
C3	C1	C4	122.124	C3	C1	F7	118.938
C3	C6	H12	121.400	C4	C1	F7	118.938
C4	C5	H11	121.400	C5	C2	C6	122.124
C5	C2	F8	118.938	C5	C4	H10	121.400
C6	C2	F8	118.938	C6	C3	H9	121.400

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-31G*

States and conformations

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