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	hartrees
Energy at 0K	-429.293639
Energy at 298.15K	-429.298650
Nuclear repulsion energy	343.324148

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3364	3114	0.00
2	A_g	1793	1660	0.00
3	A_g	1382	1279	0.00
4	A_g	1234	1142	0.00
5	A_g	921	852	0.00
6	A_g	477	442	0.00
7	A_u	1005	930	0.00
8	A_u	453	419	0.00
9	B_1g	876	811	0.00
10	B_1u	3349	3100	4.62
11	B_1u	1660	1537	276.78
12	B_1u	1327	1229	160.81
13	B_1u	1086	1005	4.33
14	B_1u	787	729	53.61
15	B_2g	958	887	0.00
16	B_2g	675	625	0.00
17	B_2g	401	371	0.00
18	B_2u	3363	3113	1.07
19	B_2u	1541	1427	0.16
20	B_2u	1323	1225	2.20
21	B_2u	1168	1081	14.62
22	B_2u	364	337	5.57
23	B_3g	3351	3102	0.00
24	B_3g	1778	1646	0.00
25	B_3g	1379	1277	0.00
26	B_3g	680	630	0.00
27	B_3g	467	433	0.00
28	B_3u	900	833	104.49
29	B_3u	546	506	8.67
30	B_3u	172	159	2.19

Atom	y (Å)	z (Å)
C1	0.000	1.360
C2	0.000	-1.360
C3	1.207	0.693
C4	-1.207	0.693
C5	-1.207	-0.693
C6	1.207	-0.693
F7	0.000	2.701
F8	0.000	-2.701
H9	2.127	1.253
H10	-2.127	1.253
H11	-2.127	-1.253
H12	2.127	-1.253

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		2.7204	1.3796	1.3796	2.3816	2.3816	1.3410	4.0615	2.1301	2.1301	3.3700	3.3700
C2	2.7204		2.3816	2.3816	1.3796	1.3796	4.0615	1.3410	3.3700	3.3700	2.1301	2.1301
C3	1.3796	2.3816		2.4146	2.7838	1.3853	2.3435	3.6022	1.0775	3.3815	3.8610	2.1525
C4	1.3796	2.3816	2.4146		1.3853	2.7838	2.3435	3.6022	3.3815	1.0775	2.1525	3.8610
C5	2.3816	1.3796	2.7838	1.3853		2.4146	3.6022	2.3435	3.8610	2.1525	1.0775	3.3815
C6	2.3816	1.3796	1.3853	2.7838	2.4146		3.6022	2.3435	2.1525	3.8610	3.3815	1.0775
F7	1.3410	4.0615	2.3435	2.3435	3.6022	3.6022		5.4025	2.5734	2.5734	4.4905	4.4905
F8	4.0615	1.3410	3.6022	3.6022	2.3435	2.3435	5.4025		4.4905	4.4905	2.5734	2.5734
H9	2.1301	3.3700	1.0775	3.3815	3.8610	2.1525	2.5734	4.4905		4.2548	4.9383	2.5067
H10	2.1301	3.3700	3.3815	1.0775	2.1525	3.8610	2.5734	4.4905	4.2548		2.5067	4.9383
H11	3.3700	2.1301	3.8610	2.1525	1.0775	3.3815	4.4905	2.5734	4.9383	2.5067		4.2548
H12	3.3700	2.1301	2.1525	3.8610	3.3815	1.0775	4.4905	2.5734	2.5067	4.9383	4.2548

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	118.940	C1	C3	H9	119.701
C1	C4	C5	118.940	C1	C4	H10	119.701
C2	C5	C4	118.940	C2	C5	H11	119.701
C2	C6	C3	118.940	C2	C6	H12	119.701
C3	C1	C4	122.120	C3	C1	F7	118.940
C3	C6	H12	121.359	C4	C1	F7	118.940
C4	C5	H11	121.359	C5	C2	C6	122.120
C5	C2	F8	118.940	C5	C4	H10	121.359
C6	C2	F8	118.940	C6	C3	H9	121.359

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

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

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