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	hartrees
Energy at 0K	-429.569668
Energy at 298.15K
HF Energy	-428.399840
Nuclear repulsion energy	339.419481

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3224	3093
2	A_g	1681	1612
3	A_g	1302	1249
4	A_g	1175	1128
5	A_g	868	833
6	A_g	450	432
7	A_u	878	842
8	A_u	411	394
9	B_1g	790	758
10	B_1u	3210	3079
11	B_1u	1567	1503
12	B_1u	1253	1202
13	B_1u	1031	989
14	B_1u	744	714
15	B_2g	840	806
16	B_2g	518	497
17	B_2g	362	348
18	B_2u	3224	3092
19	B_2u	1456	1397
20	B_2u	1329	1275
21	B_2u	1116	1071
22	B_2u	344	330
23	B_3g	3212	3081
24	B_3g	1669	1601
25	B_3g	1306	1253
26	B_3g	644	617
27	B_3g	439	421
28	B_3u	801	768
29	B_3u	492	472
30	B_3u	160	153

Atom	y (Å)	z (Å)
C1	0.000	1.372
C2	0.000	-1.372
C3	1.223	0.700
C4	-1.223	0.700
C5	-1.223	-0.700
C6	1.223	-0.700
F7	0.000	2.732
F8	0.000	-2.732
H9	2.151	1.269
H10	-2.151	1.269
H11	-2.151	-1.269
H12	2.151	-1.269

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		2.7442	1.3949	1.3949	2.4063	2.4063	1.3595	4.1037	2.1536	2.1536	3.4062	3.4062
C2	2.7442		2.4063	2.4063	1.3949	1.3949	4.1037	1.3595	3.4062	3.4062	2.1536	2.1536
C3	1.3949	2.4063		2.4452	2.8181	1.4009	2.3707	3.6433	1.0887	3.4213	3.9065	2.1773
C4	1.3949	2.4063	2.4452		1.4009	2.8181	2.3707	3.6433	3.4213	1.0887	2.1773	3.9065
C5	2.4063	1.3949	2.8181	1.4009		2.4452	3.6433	2.3707	3.9065	2.1773	1.0887	3.4213
C6	2.4063	1.3949	1.4009	2.8181	2.4452		3.6433	2.3707	2.1773	3.9065	3.4213	1.0887
F7	1.3595	4.1037	2.3707	2.3707	3.6433	3.6433		5.4632	2.6013	2.6013	4.5422	4.5422
F8	4.1037	1.3595	3.6433	3.6433	2.3707	2.3707	5.4632		4.5422	4.5422	2.6013	2.6013
H9	2.1536	3.4062	1.0887	3.4213	3.9065	2.1773	2.6013	4.5422		4.3022	4.9950	2.5378
H10	2.1536	3.4062	3.4213	1.0887	2.1773	3.9065	2.6013	4.5422	4.3022		2.5378	4.9950
H11	3.4062	2.1536	3.9065	2.1773	1.0887	3.4213	4.5422	2.6013	4.9950	2.5378		4.3022
H12	3.4062	2.1536	2.1773	3.9065	3.4213	1.0887	4.5422	2.6013	2.5378	4.9950	4.3022

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	118.782	C1	C3	H9	119.742
C1	C4	C5	118.782	C1	C4	H10	119.742
C2	C5	C4	118.782	C2	C5	H11	119.742
C2	C6	C3	118.782	C2	C6	H12	119.742
C3	C1	C4	122.435	C3	C1	F7	118.782
C3	C6	H12	121.475	C4	C1	F7	118.782
C4	C5	H11	121.475	C5	C2	C6	122.435
C5	C2	F8	118.782	C5	C4	H10	121.475
C6	C2	F8	118.782	C6	C3	H9	121.475

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

using model chemistry: QCISD(T)/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: QCISD(T)/6-31G*

States and conformations

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