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	hartrees
Energy at 0K	-429.650495
Energy at 298.15K
HF Energy	-428.428047
Nuclear repulsion energy	338.126707

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3231	3080
2	A_g	1672	1593
3	A_g	1295	1234
4	A_g	1143	1089
5	A_g	858	817
6	A_g	445	424
7	A_u	936	892
8	A_u	419	399
9	B_1g	810	772
10	B_1u	3215	3064
11	B_1u	1549	1476
12	B_1u	1241	1183
13	B_1u	1012	965
14	B_1u	739	704
15	B_2g	903	861
16	B_2g	655	625
17	B_2g	376	358
18	B_2u	3230	3079
19	B_2u	1435	1368
20	B_2u	1326	1264
21	B_2u	1085	1034
22	B_2u	342	325
23	B_3g	3217	3066
24	B_3g	1653	1575
25	B_3g	1278	1218
26	B_3g	635	605
27	B_3g	434	413
28	B_3u	838	798
29	B_3u	514	490
30	B_3u	159	152

Atom	y (Å)	z (Å)
C1	0.000	1.387
C2	0.000	-1.387
C3	1.226	0.705
C4	-1.226	0.705
C5	-1.226	-0.705
C6	1.226	-0.705
F7	0.000	2.741
F8	0.000	-2.741
H9	2.162	1.273
H10	-2.162	1.273
H11	-2.162	-1.273
H12	2.162	-1.273

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		2.7749	1.4031	1.4031	2.4248	2.4248	1.3535	4.1284	2.1655	2.1655	3.4286	3.4286
C2	2.7749		2.4248	2.4248	1.4031	1.4031	4.1284	1.3535	3.4286	3.4286	2.1655	2.1655
C3	1.4031	2.4248		2.4516	2.8278	1.4093	2.3768	3.6571	1.0957	3.4356	3.9233	2.1884
C4	1.4031	2.4248	2.4516		1.4093	2.8278	2.3768	3.6571	3.4356	1.0957	2.1884	3.9233
C5	2.4248	1.4031	2.8278	1.4093		2.4516	3.6571	2.3768	3.9233	2.1884	1.0957	3.4356
C6	2.4248	1.4031	1.4093	2.8278	2.4516		3.6571	2.3768	2.1884	3.9233	3.4356	1.0957
F7	1.3535	4.1284	2.3768	2.3768	3.6571	3.6571		5.4819	2.6135	2.6135	4.5595	4.5595
F8	4.1284	1.3535	3.6571	3.6571	2.3768	2.3768	5.4819		4.5595	4.5595	2.6135	2.6135
H9	2.1655	3.4286	1.0957	3.4356	3.9233	2.1884	2.6135	4.5595		4.3249	5.0189	2.5463
H10	2.1655	3.4286	3.4356	1.0957	2.1884	3.9233	2.6135	4.5595	4.3249		2.5463	5.0189
H11	3.4286	2.1655	3.9233	2.1884	1.0957	3.4356	4.5595	2.6135	5.0189	2.5463		4.3249
H12	3.4286	2.1655	2.1884	3.9233	3.4356	1.0957	4.5595	2.6135	2.5463	5.0189	4.3249

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	119.121	C1	C3	H9	119.623
C1	C4	C5	119.121	C1	C4	H10	119.623
C2	C5	C4	119.121	C2	C5	H11	119.623
C2	C6	C3	119.121	C2	C6	H12	119.623
C3	C1	C4	121.759	C3	C1	F7	119.121
C3	C6	H12	121.257	C4	C1	F7	119.121
C4	C5	H11	121.257	C5	C2	C6	121.759
C5	C2	F8	119.121	C5	C4	H10	121.257
C6	C2	F8	119.121	C6	C3	H9	121.257

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

using model chemistry: QCISD(T)/cc-pVDZ

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: QCISD(T)/cc-pVDZ

States and conformations

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