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	hartrees
Energy at 0K	-427.862263
Energy at 298.15K
HF Energy	-427.604926
Nuclear repulsion energy	339.025269

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3266	3109	0.00
2	A_g	1666	1586	0.00
3	A_g	1322	1259	0.00
4	A_g	1214	1156	0.00
5	A_g	874	832	0.00
6	A_g	470	447	0.00
7	A_u	1021	972	0.00
8	A_u	462	439	0.00
9	B_1g	866	825	0.00
10	B_1u	3250	3094	3.21
11	B_1u	1585	1509	183.37
12	B_1u	1295	1233	88.71
13	B_1u	1053	1002	0.40
14	B_1u	763	727	33.61
15	B_2g	1005	957	0.00
16	B_2g	759	723	0.00
17	B_2g	402	383	0.00
18	B_2u	3263	3107	0.28
19	B_2u	1454	1384	0.01
20	B_2u	1322	1258	0.48
21	B_2u	1142	1088	13.76
22	B_2u	331	315	4.61
23	B_3g	3251	3095	0.00
24	B_3g	1625	1547	0.00
25	B_3g	1356	1291	0.00
26	B_3g	675	642	0.00
27	B_3g	438	417	0.00
28	B_3u	897	854	123.93
29	B_3u	544	518	15.34
30	B_3u	166	158	1.85

Atom	y (Å)	z (Å)
C1	0.000	1.383
C2	0.000	-1.383
C3	1.210	0.697
C4	-1.210	0.697
C5	-1.210	-0.697
C6	1.210	-0.697
F7	0.000	2.756
F8	0.000	-2.756
H9	2.136	1.254
H10	-2.136	1.254
H11	-2.136	-1.254
H12	2.136	-1.254

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		2.7663	1.3911	1.3911	2.4067	2.4067	1.3734	4.1396	2.1397	2.1397	3.3937	3.3937
C2	2.7663		2.4067	2.4067	1.3911	1.3911	4.1396	1.3734	3.3937	3.3937	2.1397	2.1397
C3	1.3911	2.4067		2.4204	2.7933	1.3944	2.3886	3.6596	1.0803	3.3921	3.8735	2.1598
C4	1.3911	2.4067	2.4204		1.3944	2.7933	2.3886	3.6596	3.3921	1.0803	2.1598	3.8735
C5	2.4067	1.3911	2.7933	1.3944		2.4204	3.6596	2.3886	3.8735	2.1598	1.0803	3.3921
C6	2.4067	1.3911	1.3944	2.7933	2.4204		3.6596	2.3886	2.1598	3.8735	3.3921	1.0803
F7	1.3734	4.1396	2.3886	2.3886	3.6596	3.6596		5.5130	2.6112	2.6112	4.5440	4.5440
F8	4.1396	1.3734	3.6596	3.6596	2.3886	2.3886	5.5130		4.5440	4.5440	2.6112	2.6112
H9	2.1397	3.3937	1.0803	3.3921	3.8735	2.1598	2.6112	4.5440		4.2717	4.9537	2.5084
H10	2.1397	3.3937	3.3921	1.0803	2.1598	3.8735	2.6112	4.5440	4.2717		2.5084	4.9537
H11	3.3937	2.1397	3.8735	2.1598	1.0803	3.3921	4.5440	2.6112	4.9537	2.5084		4.2717
H12	3.3937	2.1397	2.1598	3.8735	3.3921	1.0803	4.5440	2.6112	2.5084	4.9537	4.2717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.545	C1	C3	H9	119.416
C1	C4	C5	119.545	C1	C4	H10	119.416
C2	C5	C4	119.545	C2	C5	H11	119.416
C2	C6	C3	119.545	C2	C6	H12	119.416
C3	C1	C4	120.909	C3	C1	F7	119.545
C3	C6	H12	121.038	C4	C1	F7	119.545
C4	C5	H11	121.038	C5	C2	C6	120.909
C5	C2	F8	119.545	C5	C4	H10	121.038
C6	C2	F8	119.545	C6	C3	H9	121.038

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

using model chemistry: B2PLYP=FULL/3-21G

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/3-21G

States and conformations

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