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	hartrees
Energy at 0K	-429.494135
Energy at 298.15K
HF Energy	-428.401151
Nuclear repulsion energy	340.368673

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	3270	3084	0.00	246.43	0.16	0.27
2	A_g	1692	1596	0.00	6.95	0.68	0.81
3	A_g	1314	1239	0.00	13.81	0.17	0.29
4	A_g	1189	1121	0.00	8.85	0.67	0.80
5	A_g	878	828	0.00	30.09	0.10	0.18
6	A_g	455	429	0.00	4.46	0.46	0.63
7	A_u	882	831	0.00	0.00	0.50	0.67
8	A_u	417	393	0.00	0.00	0.50	0.67
9	B_1g	796	751	0.00	5.22	0.75	0.86
10	B_1u	3257	3071	2.88	0.00	0.00	0.00
11	B_1u	1577	1487	245.88	0.00	0.00	0.00
12	B_1u	1262	1190	144.04	0.00	0.00	0.00
13	B_1u	1042	983	3.89	0.00	0.00	0.00
14	B_1u	754	711	48.46	0.00	0.00	0.00
15	B_2g	848	800	0.00	2.40	0.75	0.86
16	B_2g	507	478	0.00	2.24	0.75	0.86
17	B_2g	363	342	0.00	2.53	0.75	0.86
18	B_2u	3270	3083	0.11	0.00	0.00	0.00
19	B_2u	1483	1398	0.68	0.00	0.00	0.00
20	B_2u	1449	1367	0.25	0.00	0.00	0.00
21	B_2u	1130	1065	12.83	0.00	0.00	0.00
22	B_2u	347	327	4.87	0.00	0.00	0.00
23	B_3g	3259	3074	0.00	113.83	0.75	0.86
24	B_3g	1685	1589	0.00	5.39	0.75	0.86
25	B_3g	1319	1244	0.00	2.11	0.75	0.86
26	B_3g	648	611	0.00	7.17	0.75	0.86
27	B_3g	442	417	0.00	0.12	0.75	0.86
28	B_3u	810	764	96.44	0.00	0.00	0.00
29	B_3u	501	472	8.17	0.00	0.00	0.00
30	B_3u	160	151	1.60	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	1.368
C2	0.000	-1.368
C3	1.218	0.698
C4	-1.218	0.698
C5	-1.218	-0.698
C6	1.218	-0.698
F7	0.000	2.726
F8	0.000	-2.726
H9	2.144	1.264
H10	-2.144	1.264
H11	-2.144	-1.264
H12	2.144	-1.264

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		2.7369	1.3904	1.3904	2.3985	2.3985	1.3575	4.0944	2.1463	2.1463	3.3952	3.3952
C2	2.7369		2.3985	2.3985	1.3904	1.3904	4.0944	1.3575	3.3952	3.3952	2.1463	2.1463
C3	1.3904	2.3985		2.4359	2.8073	1.3956	2.3658	3.6339	1.0854	3.4091	3.8924	2.1696
C4	1.3904	2.3985	2.4359		1.3956	2.8073	2.3658	3.6339	3.4091	1.0854	2.1696	3.8924
C5	2.3985	1.3904	2.8073	1.3956		2.4359	3.6339	2.3658	3.8924	2.1696	1.0854	3.4091
C6	2.3985	1.3904	1.3956	2.8073	2.4359		3.6339	2.3658	2.1696	3.8924	3.4091	1.0854
F7	1.3575	4.0944	2.3658	2.3658	3.6339	3.6339		5.4519	2.5946	2.5946	4.5297	4.5297
F8	4.0944	1.3575	3.6339	3.6339	2.3658	2.3658	5.4519		4.5297	4.5297	2.5946	2.5946
H9	2.1463	3.3952	1.0854	3.4091	3.8924	2.1696	2.5946	4.5297		4.2875	4.9776	2.5287
H10	2.1463	3.3952	3.4091	1.0854	2.1696	3.8924	2.5946	4.5297	4.2875		2.5287	4.9776
H11	3.3952	2.1463	3.8924	2.1696	1.0854	3.4091	4.5297	2.5946	4.9776	2.5287		4.2875
H12	3.3952	2.1463	2.1696	3.8924	3.4091	1.0854	4.5297	2.5946	2.5287	4.9776	4.2875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	118.840	C1	C3	H9	119.697
C1	C4	C5	118.840	C1	C4	H10	119.697
C2	C5	C4	118.840	C2	C5	H11	119.697
C2	C6	C3	118.840	C2	C6	H12	119.697
C3	C1	C4	122.320	C3	C1	F7	118.840
C3	C6	H12	121.463	C4	C1	F7	118.840
C4	C5	H11	121.463	C5	C2	C6	122.320
C5	C2	F8	118.840	C5	C4	H10	121.463
C6	C2	F8	118.840	C6	C3	H9	121.463

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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