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	hartrees
Energy at 0K	-84.091234
Energy at 298.15K
HF Energy	-82.984197
Nuclear repulsion energy	173.426496

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_g	3245	3092	0.00	275.11	0.16	0.27
2	A_g	1645	1567	0.00	5.49	0.68	0.81
3	A_g	1269	1210	0.00	19.08	0.13	0.23
4	A_g	1164	1109	0.00	7.24	0.62	0.76
5	A_g	852	812	0.00	36.77	0.08	0.15
6	A_g	446	425	0.00	5.50	0.45	0.62
7	A_u	805	767	0.00	0.00	0.00	0.00
8	A_u	387	369	0.00	0.00	0.00	0.00
9	B_1g	778	742	0.00	0.21	0.75	0.86
10	B_1u	3232	3079	3.86	0.00	0.74	0.85
11	B_1u	1534	1462	262.73	0.00	0.48	0.65
12	B_1u	1219	1161	187.22	0.00	0.46	0.63
13	B_1u	1021	973	5.05	0.00	0.46	0.00
14	B_1u	738	703	55.26	0.00	0.61	0.76
15	B_2g	787	750	0.00	0.04	0.75	0.86
16	B_2g	404	385	0.00	5.33	0.75	0.86
17	B_2g	306i	292i	0.00	0.02	0.75	0.86
18	B_2u	3245	3092	0.92	0.00	0.15	0.26
19	B_2u	1446	1378	0.84	0.00	0.48	0.65
20	B_2u	1415	1348	0.08	0.00	0.50	0.66
21	B_2u	1104	1052	13.57	0.00	0.51	0.68
22	B_2u	341	325	5.18	0.00	0.51	0.67
23	B_3g	3234	3081	0.00	112.71	0.75	0.86
24	B_3g	1646	1568	0.00	6.25	0.75	0.86
25	B_3g	1294	1232	0.00	1.50	0.75	0.86
26	B_3g	634	604	0.00	7.89	0.75	0.86
27	B_3g	434	413	0.00	0.06	0.75	0.86
28	B_3u	794	756	112.84	0.00	0.00	0.00
29	B_3u	485	463	13.98	0.00	0.00	0.00
30	B_3u	153	146	1.66	0.00	0.00	0.00

Atom	y (Å)	z (Å)
C1	0.000	1.373
C2	0.000	-1.373
C3	1.230	0.704
C4	-1.230	0.704
C5	-1.230	-0.704
C6	1.230	-0.704
F7	0.000	2.740
F8	0.000	-2.740
H9	2.157	1.271
H10	-2.157	1.271
H11	-2.157	-1.271
H12	2.157	-1.271

	C1	C2	C3	C4	C5	C6	F7	F8	H9	H10	H11	H12
C1		2.7459	1.4004	1.4004	2.4135	2.4135	1.3672	4.1131	2.1593	2.1593	3.4120	3.4120
C2	2.7459		2.4135	2.4135	1.4004	1.4004	4.1131	1.3672	3.4120	3.4120	2.1593	2.1593
C3	1.4004	2.4135		2.4602	2.8342	1.4072	2.3792	3.6568	1.0866	3.4341	3.9204	2.1811
C4	1.4004	2.4135	2.4602		1.4072	2.8342	2.3792	3.6568	3.4341	1.0866	2.1811	3.9204
C5	2.4135	1.4004	2.8342	1.4072		2.4602	3.6568	2.3792	3.9204	2.1811	1.0866	3.4341
C6	2.4135	1.4004	1.4072	2.8342	2.4602		3.6568	2.3792	2.1811	3.9204	3.4341	1.0866
F7	1.3672	4.1131	2.3792	2.3792	3.6568	3.6568		5.4802	2.6097	2.6097	4.5541	4.5541
F8	4.1131	1.3672	3.6568	3.6568	2.3792	2.3792	5.4802		4.5541	4.5541	2.6097	2.6097
H9	2.1593	3.4120	1.0866	3.4341	3.9204	2.1811	2.6097	4.5541		4.3137	5.0068	2.5417
H10	2.1593	3.4120	3.4341	1.0866	2.1811	3.9204	2.6097	4.5541	4.3137		2.5417	5.0068
H11	3.4120	2.1593	3.9204	2.1811	1.0866	3.4341	4.5541	2.6097	5.0068	2.5417		4.3137
H12	3.4120	2.1593	2.1811	3.9204	3.4341	1.0866	4.5541	2.6097	2.5417	5.0068	4.3137

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C6	118.552	C1	C3	H9	119.977
C1	C4	C5	118.552	C1	C4	H10	119.977
C2	C5	C4	118.552	C2	C5	H11	119.977
C2	C6	C3	118.552	C2	C6	H12	119.977
C3	C1	C4	122.895	C3	C1	F7	118.552
C3	C6	H12	121.471	C4	C1	F7	118.552
C4	C5	H11	121.471	C5	C2	C6	122.895
C5	C2	F8	118.552	C5	C4	H10	121.471
C6	C2	F8	118.552	C6	C3	H9	121.471

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

using model chemistry: MP2/CEP-121G*

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: MP2/CEP-121G*

States and conformations

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