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	hartrees
Energy at 0K	-429.832002
Energy at 298.15K
HF Energy	-428.434986
Nuclear repulsion energy	343.016637

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	3277	3080	0.00	238.32	0.15	0.27
2	A_g	1678	1577	0.00	6.31	0.63	0.77
3	A_g	1331	1251	0.00	14.01	0.15	0.26
4	A_g	1167	1097	0.00	8.40	0.68	0.81
5	A_g	871	819	0.00	31.73	0.08	0.15
6	A_g	451	424	0.00	3.98	0.43	0.60
7	A_u	946	889	0.00	0.00	0.00	0.00
8	A_u	442	416	0.00	0.00	0.00	0.00
9	B_1g	833	783	0.00	3.06	0.75	0.86
10	B_1u	3262	3066	2.08	0.00	0.65	0.79
11	B_1u	1562	1468	275.22	0.00	0.00	0.00
12	B_1u	1265	1189	126.89	0.00	0.49	0.00
13	B_1u	1022	961	3.49	0.00	0.51	0.67
14	B_1u	764	718	41.76	0.00	0.49	0.66
15	B_2g	940	884	0.00	1.87	0.75	0.86
16	B_2g	736	692	0.00	0.18	0.75	0.86
17	B_2g	396	372	0.00	3.45	0.75	0.86
18	B_2u	3276	3079	0.20	0.00	0.29	0.46
19	B_2u	1484	1395	1.15	0.00	0.50	0.66
20	B_2u	1432	1346	0.05	0.00	0.00	0.00
21	B_2u	1106	1039	12.53	0.00	0.49	0.66
22	B_2u	353	332	3.82	0.00	0.00	0.00
23	B_3g	3264	3068	0.00	106.14	0.75	0.86
24	B_3g	1662	1562	0.00	4.23	0.75	0.86
25	B_3g	1275	1198	0.00	2.60	0.75	0.86
26	B_3g	642	603	0.00	6.54	0.75	0.86
27	B_3g	444	417	0.00	0.02	0.75	0.86
28	B_3u	863	811	69.77	0.00	0.00	0.00
29	B_3u	541	508	11.38	0.00	0.00	0.00
30	B_3u	164	155	1.24	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	1.369
C2	0.000	-1.369
C3	1.208	0.694
C4	-1.208	0.694
C5	-1.208	-0.694
C6	1.208	-0.694
F7	0.000	2.702
F8	0.000	-2.702
H9	2.131	1.257
H10	-2.131	1.257
H11	-2.131	-1.257
H12	2.131	-1.257

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		2.7385	1.3837	1.3837	2.3912	2.3912	1.3325	4.0710	2.1343	2.1343	3.3819	3.3819
C2	2.7385		2.3912	2.3912	1.3837	1.3837	4.0710	1.3325	3.3819	3.3819	2.1343	2.1343
C3	1.3837	2.3912		2.4161	2.7868	1.3889	2.3428	3.6047	1.0810	3.3864	3.8675	2.1584
C4	1.3837	2.3912	2.4161		1.3889	2.7868	2.3428	3.6047	3.3864	1.0810	2.1584	3.8675
C5	2.3912	1.3837	2.7868	1.3889		2.4161	3.6047	2.3428	3.8675	2.1584	1.0810	3.3864
C6	2.3912	1.3837	1.3889	2.7868	2.4161		3.6047	2.3428	2.1584	3.8675	3.3864	1.0810
F7	1.3325	4.0710	2.3428	2.3428	3.6047	3.6047		5.4036	2.5751	2.5751	4.4957	4.4957
F8	4.0710	1.3325	3.6047	3.6047	2.3428	2.3428	5.4036		4.4957	4.4957	2.5751	2.5751
H9	2.1343	3.3819	1.0810	3.3864	3.8675	2.1584	2.5751	4.4957		4.2627	4.9484	2.5131
H10	2.1343	3.3819	3.3864	1.0810	2.1584	3.8675	2.5751	4.4957	4.2627		2.5131	4.9484
H11	3.3819	2.1343	3.8675	2.1584	1.0810	3.3864	4.4957	2.5751	4.9484	2.5131		4.2627
H12	3.3819	2.1343	2.1584	3.8675	3.3864	1.0810	4.4957	2.5751	2.5131	4.9484	4.2627

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.188	C1	C3	H9	119.478
C1	C4	C5	119.188	C1	C4	H10	119.478
C2	C5	C4	119.188	C2	C5	H11	119.478
C2	C6	C3	119.188	C2	C6	H12	119.478
C3	C1	C4	121.625	C3	C1	F7	119.188
C3	C6	H12	121.334	C4	C1	F7	119.188
C4	C5	H11	121.334	C5	C2	C6	121.625
C5	C2	F8	119.188	C5	C4	H10	121.334
C6	C2	F8	119.188	C6	C3	H9	121.334

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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