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	hartrees
Energy at 0K	-429.610193
Energy at 298.15K	-429.614825
HF Energy	-428.425448
Nuclear repulsion energy	340.941310

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3321	3094	0.00
2	A_g	1715	1598	0.00
3	A_g	1313	1223	0.00
4	A_g	1194	1112	0.00
5	A_g	884	824	0.00
6	A_g	460	428	0.00
7	A_u	925	862	0.00
8	A_u	415	387	0.00
9	B_1g	818	762	0.00
10	B_1u	3307	3081	3.47
11	B_1u	1597	1488	246.24
12	B_1u	1265	1178	190.50
13	B_1u	1048	977	6.71
14	B_1u	757	705	59.27
15	B_2g	875	815	0.00
16	B_2g	499	465	0.00
17	B_2g	355	331	0.00
18	B_2u	3321	3093	0.30
19	B_2u	1485	1383	0.72
20	B_2u	1312	1223	0.34
21	B_2u	1131	1054	11.66
22	B_2u	351	327	5.95
23	B_3g	3308	3082	0.00
24	B_3g	1711	1594	0.00
25	B_3g	1340	1248	0.00
26	B_3g	655	610	0.00
27	B_3g	450	419	0.00
28	B_3u	837	780	99.09
29	B_3u	505	471	14.70
30	B_3u	159	148	2.13

Atom	y (Å)	z (Å)
C1	0.000	1.360
C2	0.000	-1.360
C3	1.217	0.697
C4	-1.217	0.697
C5	-1.217	-0.697
C6	1.217	-0.697
F7	0.000	2.720
F8	0.000	-2.720
H9	2.140	1.254
H10	-2.140	1.254
H11	-2.140	-1.254
H12	2.140	-1.254

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		2.7198	1.3860	1.3860	2.3897	2.3897	1.3596	4.0794	2.1427	2.1427	3.3779	3.3779
C2	2.7198		2.3897	2.3897	1.3860	1.3860	4.0794	1.3596	3.3779	3.3779	2.1427	2.1427
C3	1.3860	2.3897		2.4341	2.8047	1.3934	2.3607	3.6265	1.0780	3.4030	3.8825	2.1576
C4	1.3860	2.3897	2.4341		1.3934	2.8047	2.3607	3.6265	3.4030	1.0780	2.1576	3.8825
C5	2.3897	1.3860	2.8047	1.3934		2.4341	3.6265	2.3607	3.8825	2.1576	1.0780	3.4030
C6	2.3897	1.3860	1.3934	2.8047	2.4341		3.6265	2.3607	2.1576	3.8825	3.4030	1.0780
F7	1.3596	4.0794	2.3607	2.3607	3.6265	3.6265		5.4390	2.5940	2.5940	4.5128	4.5128
F8	4.0794	1.3596	3.6265	3.6265	2.3607	2.3607	5.4390		4.5128	4.5128	2.5940	2.5940
H9	2.1427	3.3779	1.0780	3.4030	3.8825	2.1576	2.5940	4.5128		4.2801	4.9604	2.5071
H10	2.1427	3.3779	3.4030	1.0780	2.1576	3.8825	2.5940	4.5128	4.2801		2.5071	4.9604
H11	3.3779	2.1427	3.8825	2.1576	1.0780	3.4030	4.5128	2.5940	4.9604	2.5071		4.2801
H12	3.3779	2.1427	2.1576	3.8825	3.4030	1.0780	4.5128	2.5940	2.5071	4.9604	4.2801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	118.587	C1	C3	H9	120.309
C1	C4	C5	118.587	C1	C4	H10	120.309
C2	C5	C4	118.587	C2	C5	H11	120.309
C2	C6	C3	118.587	C2	C6	H12	120.309
C3	C1	C4	122.826	C3	C1	F7	118.587
C3	C6	H12	121.104	C4	C1	F7	118.587
C4	C5	H11	121.104	C5	C2	C6	122.826
C5	C2	F8	118.587	C5	C4	H10	121.104
C6	C2	F8	118.587	C6	C3	H9	121.104

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

using model chemistry: MP3=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: MP3=FULL/6-31+G**

States and conformations

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