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	hartrees
Energy at 0K	-429.595020
Energy at 298.15K
HF Energy	-428.424547
Nuclear repulsion energy	340.202915

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	3298	3097	0.00	283.33	0.14	0.25
2	A_g	1677	1575	0.00	5.62	0.74	0.85
3	A_g	1281	1203	0.00	29.80	0.07	0.12
4	A_g	1182	1110	0.00	7.85	0.53	0.70
5	A_g	868	815	0.00	37.83	0.05	0.10
6	A_g	453	426	0.00	5.81	0.38	0.55
7	A_u	897	843	0.00	0.00	0.00	0.00
8	A_u	408	383	0.00	0.00	0.00	0.00
9	B_1g	796	747	0.00	0.33	0.75	0.86
10	B_1u	3284	3084	2.38	0.00	0.00	0.00
11	B_1u	1562	1467	239.85	0.00	0.00	0.00
12	B_1u	1232	1157	197.47	0.00	0.00	0.00
13	B_1u	1037	974	7.25	0.00	0.00	0.00
14	B_1u	745	700	62.07	0.00	0.00	0.00
15	B_2g	854	802	0.00	0.11	0.75	0.86
16	B_2g	445	418	0.00	3.72	0.75	0.86
17	B_2g	329	309	0.00	0.98	0.75	0.86
18	B_2u	3297	3097	0.00	0.00	0.75	0.86
19	B_2u	1478	1388	0.60	0.00	0.00	0.00
20	B_2u	1448	1360	0.11	0.00	0.00	0.00
21	B_2u	1124	1056	11.60	0.00	0.00	0.00
22	B_2u	345	324	5.51	0.00	0.00	0.00
23	B_3g	3286	3086	0.00	113.35	0.75	0.86
24	B_3g	1683	1580	0.00	7.48	0.75	0.86
25	B_3g	1321	1241	0.00	1.16	0.75	0.86
26	B_3g	644	605	0.00	6.67	0.75	0.86
27	B_3g	441	414	0.00	0.07	0.75	0.86
28	B_3u	815	766	99.57	0.00	0.00	0.00
29	B_3u	494	464	15.32	0.00	0.00	0.00
30	B_3u	155	145	1.95	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	1.364
C2	0.000	-1.364
C3	1.219	0.698
C4	-1.219	0.698
C5	-1.219	-0.698
C6	1.219	-0.698
F7	0.000	2.729
F8	0.000	-2.729
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		2.7279	1.3891	1.3891	2.3956	2.3956	1.3649	4.0927	2.1435	2.1435	3.3880	3.3880
C2	2.7279		2.3956	2.3956	1.3891	1.3891	4.0927	1.3649	3.3880	3.3880	2.1435	2.1435
C3	1.3891	2.3956		2.4383	2.8100	1.3966	2.3684	3.6375	1.0804	3.4071	3.8901	2.1660
C4	1.3891	2.3956	2.4383		1.3966	2.8100	2.3684	3.6375	3.4071	1.0804	2.1660	3.8901
C5	2.3956	1.3891	2.8100	1.3966		2.4383	3.6375	2.3684	3.8901	2.1660	1.0804	3.4071
C6	2.3956	1.3891	1.3966	2.8100	2.4383		3.6375	2.3684	2.1660	3.8901	3.4071	1.0804
F7	1.3649	4.0927	2.3684	2.3684	3.6375	3.6375		5.4576	2.5954	2.5954	4.5286	4.5286
F8	4.0927	1.3649	3.6375	3.6375	2.3684	2.3684	5.4576		4.5286	4.5286	2.5954	2.5954
H9	2.1435	3.3880	1.0804	3.4071	3.8901	2.1660	2.5954	4.5286		4.2820	4.9703	2.5235
H10	2.1435	3.3880	3.4071	1.0804	2.1660	3.8901	2.5954	4.5286	4.2820		2.5235	4.9703
H11	3.3880	2.1435	3.8901	2.1660	1.0804	3.4071	4.5286	2.5954	4.9703	2.5235		4.2820
H12	3.3880	2.1435	2.1660	3.8901	3.4071	1.0804	4.5286	2.5954	2.5235	4.9703	4.2820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	118.634	C1	C3	H9	119.931
C1	C4	C5	118.634	C1	C4	H10	119.931
C2	C5	C4	118.634	C2	C5	H11	119.931
C2	C6	C3	118.634	C2	C6	H12	119.931
C3	C1	C4	122.732	C3	C1	F7	118.634
C3	C6	H12	121.435	C4	C1	F7	118.634
C4	C5	H11	121.435	C5	C2	C6	122.732
C5	C2	F8	118.634	C5	C4	H10	121.435
C6	C2	F8	118.634	C6	C3	H9	121.435

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31+G**

States and conformations

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