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	hartrees
Energy at 0K	-317.097022
Energy at 298.15K
HF Energy	-316.081378
Nuclear repulsion energy	188.549911

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	3172	2992	17.71	42.07	0.72	0.84
2	A	3106	2930	3.73	237.22	0.02	0.03
3	A	3083	2908	5.58	86.97	0.13	0.23
4	A	1537	1450	0.54	7.23	0.74	0.85
5	A	1471	1388	8.86	4.00	0.71	0.83
6	A	1447	1365	7.58	0.98	0.05	0.09
7	A	1328	1253	1.13	10.25	0.63	0.77
8	A	1258	1187	0.60	3.65	0.51	0.67
9	A	1140	1076	22.41	1.59	0.73	0.84
10	A	1022	964	46.17	4.24	0.59	0.74
11	A	895	844	0.11	11.21	0.05	0.10
12	A	542	511	3.06	0.54	0.62	0.77
13	A	249	235	4.52	0.29	0.18	0.31
14	A	85	80	4.14	0.10	0.73	0.85
15	B	3172	2992	16.58	34.83	0.75	0.86
16	B	3143	2965	14.04	61.47	0.75	0.86
17	B	3104	2928	50.11	31.21	0.75	0.86
18	B	1537	1450	5.22	0.11	0.75	0.86
19	B	1426	1346	11.83	0.05	0.75	0.86
20	B	1401	1322	0.91	0.47	0.75	0.86
21	B	1277	1205	7.40	0.41	0.75	0.86
22	B	1138	1074	8.86	0.90	0.75	0.86
23	B	1103	1040	109.89	3.18	0.75	0.86
24	B	975	920	28.01	2.44	0.75	0.86
25	B	790	745	1.97	0.69	0.75	0.86
26	B	421	397	7.98	0.29	0.75	0.86
27	B	192	182	10.62	0.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.974
C2	0.000	1.253	0.131
C3	0.000	-1.253	0.131
F4	1.176	1.307	-0.612
F5	-1.176	-1.307	-0.612
H6	0.882	-0.004	1.617
H7	-0.882	0.004	1.617
H8	-0.832	1.259	-0.571
H9	-0.038	2.148	0.751
H10	0.832	-1.259	-0.571
H11	0.038	-2.148	0.751

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5100	1.5100	2.3675	2.3675	1.0916	1.0916	2.1594	2.1603	2.1594	2.1603
C2	1.5100		2.5068	1.3920	2.9140	2.1368	2.1316	1.0888	1.0890	2.7384	3.4579
C3	1.5100	2.5068		2.9140	1.3920	2.1316	2.1368	2.7384	3.4579	1.0888	1.0890
F4	2.3675	1.3920	2.9140		3.5164	2.6024	3.3012	2.0089	2.0091	2.5898	3.8850
F5	2.3675	2.9140	1.3920	3.5164		3.3012	2.6024	2.5898	3.8850	2.0089	2.0091
H6	1.0916	2.1368	2.1316	2.6024	3.3012		1.7643	3.0528	2.4961	2.5221	2.4616
H7	1.0916	2.1316	2.1368	3.3012	2.6024	1.7643		2.5221	2.4616	3.0528	2.4961
H8	2.1594	1.0888	2.7384	2.0089	2.5898	3.0528	2.5221		1.7797	3.0189	3.7570
H9	2.1603	1.0890	3.4579	2.0091	3.8850	2.4961	2.4616	1.7797		3.7570	4.2975
H10	2.1594	2.7384	1.0888	2.5898	2.0089	2.5221	3.0528	3.0189	3.7570		1.7797
H11	2.1603	3.4579	1.0890	3.8850	2.0091	2.4616	2.4961	3.7570	4.2975	1.7797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.264	C1	C2	H8	111.354
C1	C2	H9	111.410	C1	C3	F5	109.264
C1	C3	H10	111.354	C1	C3	H11	111.410
C2	C1	C3	112.204	C2	C1	H6	109.383
C2	C1	H7	108.972	C3	C1	H6	108.972
C3	C1	H7	109.383	F4	C2	H8	107.524
F4	C2	H9	107.521	F5	C3	H10	107.524
F5	C3	H11	107.521	H6	C1	H7	107.827
H8	C2	H9	109.614	H10	C3	H11	109.614

All results from a given calculation for CH₂FCH₂CH₂F (1,3-difluoropropane)

using model chemistry: MP2/6-311+G(3df,2p)

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 CH2FCH2CH2F (1,3-difluoropropane)

using model chemistry: MP2/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₂FCH₂CH₂F (1,3-difluoropropane)