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	hartrees
Energy at 0K
Energy at 298.15K	-0.113302
HF Energy	-0.113302
Nuclear repulsion energy	218.748613

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2762	2935	0.00
2	A_g	1641	1744	0.00
3	A_g	1433	1522	0.00
4	A_g	1200	1274	0.00
5	A_g	970	1031	0.00
6	A_g	427	454	0.00
7	A_u	967	1027	0.00
8	A_u	362	385	0.00
9	B_1g	879	934	0.00
10	B_1u	2746	2917	138.85
11	B_1u	1548	1644	205.21
12	B_1u	1263	1342	19.98
13	B_1u	1056	1122	21.68
14	B_1u	729	775	0.57
15	B_2g	955	1014	0.00
16	B_2g	631	671	0.00
17	B_2g	330	351	0.00
18	B_2u	2754	2926	453.40
19	B_2u	1478	1570	0.14
20	B_2u	1205	1281	27.91
21	B_2u	1075	1142	10.17
22	B_2u	326	346	2.68
23	B_3g	2747	2918	0.00
24	B_3g	1651	1754	0.00
25	B_3g	1273	1353	0.00
26	B_3g	602	639	0.00
27	B_3g	428	455	0.00
28	B_3u	869	924	151.70
29	B_3u	505	537	10.37
30	B_3u	139	147	2.51

Atom	y (Å)	z (Å)
C1	0.000	1.362
C2	0.000	-1.362
C3	1.233	0.698
C4	-1.233	0.698
C5	-1.233	-0.698
C6	1.233	-0.698
F7	0.000	2.696
F8	0.000	-2.696
H9	2.171	1.253
H10	-2.171	1.253
H11	-2.171	-1.253
H12	2.171	-1.253

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		2.7231	1.3997	1.3997	2.4006	2.4006	1.3348	4.0579	2.1740	2.1740	3.3985	3.3985
C2	2.7231		2.4006	2.4006	1.3997	1.3997	4.0579	1.3348	3.3985	3.3985	2.1740	2.1740
C3	1.3997	2.4006		2.4653	2.8335	1.3968	2.3476	3.6117	1.0902	3.4488	3.9236	2.1653
C4	1.3997	2.4006	2.4653		1.3968	2.8335	2.3476	3.6117	3.4488	1.0902	2.1653	3.9236
C5	2.4006	1.3997	2.8335	1.3968		2.4653	3.6117	2.3476	3.9236	2.1653	1.0902	3.4488
C6	2.4006	1.3997	1.3968	2.8335	2.4653		3.6117	2.3476	2.1653	3.9236	3.4488	1.0902
F7	1.3348	4.0579	2.3476	2.3476	3.6117	3.6117		5.3928	2.6074	2.6074	4.5068	4.5068
F8	4.0579	1.3348	3.6117	3.6117	2.3476	2.3476	5.3928		4.5068	4.5068	2.6074	2.6074
H9	2.1740	3.3985	1.0902	3.4488	3.9236	2.1653	2.6074	4.5068		4.3426	5.0137	2.5058
H10	2.1740	3.3985	3.4488	1.0902	2.1653	3.9236	2.6074	4.5068	4.3426		2.5058	5.0137
H11	3.3985	2.1740	3.9236	2.1653	1.0902	3.4488	4.5068	2.6074	5.0137	2.5058		4.3426
H12	3.3985	2.1740	2.1653	3.9236	3.4488	1.0902	4.5068	2.6074	2.5058	5.0137	4.3426

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	118.279	C1	C3	H9	121.150
C1	C4	C5	118.279	C1	C4	H10	121.150
C2	C5	C4	118.279	C2	C5	H11	121.150
C2	C6	C3	118.279	C2	C6	H12	121.150
C3	C1	C4	123.441	C3	C1	F7	118.279
C3	C6	H12	120.571	C4	C1	F7	118.279
C4	C5	H11	120.571	C5	C2	C6	123.441
C5	C2	F8	118.279	C5	C4	H10	120.571
C6	C2	F8	118.279	C6	C3	H9	120.571

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

using model chemistry: PM6

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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Number	Element	Mulliken
1	C	0.166
2	C	0.166
3	C	-0.185
4	C	-0.185
5	C	-0.185
6	C	-0.185
7	F	-0.149
8	F	-0.149
9	H	0.177
10	H	0.177
11	H	0.177
12	H	0.177

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PM6

States and conformations

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