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	hartrees
Energy at 0K	-430.361093
Energy at 298.15K
HF Energy	-429.974916
Nuclear repulsion energy	340.338991

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3263	3104	0.00
2	A_g	1665	1583	0.00
3	A_g	1271	1209	0.00
4	A_g	1173	1115	0.00
5	A_g	867	825	0.00
6	A_g	454	432	0.00
7	A_u	943	897	0.00
8	A_u	427	406	0.00
9	B_1g	809	770	0.00
10	B_1u	3250	3091	3.62
11	B_1u	1553	1476	241.75
12	B_1u	1226	1166	210.28
13	B_1u	1034	983	4.79
14	B_1u	742	706	66.77
15	B_2g	906	861	0.00
16	B_2g	632	601	0.00
17	B_2g	370	351	0.00
18	B_2u	3263	3103	0.16
19	B_2u	1454	1383	0.61
20	B_2u	1375	1308	0.01
21	B_2u	1116	1062	11.52
22	B_2u	345	328	5.29
23	B_3g	3252	3092	0.00
24	B_3g	1671	1589	0.00
25	B_3g	1316	1251	0.00
26	B_3g	646	615	0.00
27	B_3g	444	422	0.00
28	B_3u	841	800	91.17
29	B_3u	509	484	17.27
30	B_3u	158	151	2.01

Atom	y (Å)	z (Å)
C1	0.000	1.365
C2	0.000	-1.365
C3	1.219	0.699
C4	-1.219	0.699
C5	-1.219	-0.699
C6	1.219	-0.699
F7	0.000	2.726
F8	0.000	-2.726
H9	2.142	1.262
H10	-2.142	1.262
H11	-2.142	-1.262
H12	2.142	-1.262

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		2.7304	1.3892	1.3892	2.3968	2.3968	1.3612	4.0917	2.1447	2.1447	3.3900	3.3900
C2	2.7304		2.3968	2.3968	1.3892	1.3892	4.0917	1.3612	3.3900	3.3900	2.1447	2.1447
C3	1.3892	2.3968		2.4376	2.8095	1.3970	2.3660	3.6354	1.0818	3.4079	3.8911	2.1672
C4	1.3892	2.3968	2.4376		1.3970	2.8095	2.3660	3.6354	3.4079	1.0818	2.1672	3.8911
C5	2.3968	1.3892	2.8095	1.3970		2.4376	3.6354	2.3660	3.8911	2.1672	1.0818	3.4079
C6	2.3968	1.3892	1.3970	2.8095	2.4376		3.6354	2.3660	2.1672	3.8911	3.4079	1.0818
F7	1.3612	4.0917	2.3660	2.3660	3.6354	3.6354		5.4529	2.5949	2.5949	4.5275	4.5275
F8	4.0917	1.3612	3.6354	3.6354	2.3660	2.3660	5.4529		4.5275	4.5275	2.5949	2.5949
H9	2.1447	3.3900	1.0818	3.4079	3.8911	2.1672	2.5949	4.5275		4.2844	4.9727	2.5243
H10	2.1447	3.3900	3.4079	1.0818	2.1672	3.8911	2.5949	4.5275	4.2844		2.5243	4.9727
H11	3.3900	2.1447	3.8911	2.1672	1.0818	3.4079	4.5275	2.5949	4.9727	2.5243		4.2844
H12	3.3900	2.1447	2.1672	3.8911	3.4079	1.0818	4.5275	2.5949	2.5243	4.9727	4.2844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	118.679	C1	C3	H9	119.923
C1	C4	C5	118.679	C1	C4	H10	119.923
C2	C5	C4	118.679	C2	C5	H11	119.923
C2	C6	C3	118.679	C2	C6	H12	119.923
C3	C1	C4	122.641	C3	C1	F7	118.679
C3	C6	H12	121.398	C4	C1	F7	118.679
C4	C5	H11	121.398	C5	C2	C6	122.641
C5	C2	F8	118.679	C5	C4	H10	121.398
C6	C2	F8	118.679	C6	C3	H9	121.398

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-31+G**

States and conformations

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