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	hartrees
Energy at 0K	-316.951681
Energy at 298.15K
HF Energy	-316.041917
Nuclear repulsion energy	188.626713

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	3189	3021	27.23	49.35	0.75	0.86
2	A	3121	2956	3.58	198.88	0.02	0.03
3	A	3096	2932	8.47	72.56	0.22	0.36
4	A	1564	1482	0.39	12.81	0.75	0.85
5	A	1502	1423	11.65	7.22	0.69	0.82
6	A	1477	1399	10.00	1.92	0.32	0.48
7	A	1347	1275	0.41	20.28	0.70	0.83
8	A	1276	1209	1.02	8.29	0.68	0.81
9	A	1150	1090	21.86	2.18	0.75	0.86
10	A	1035	981	42.72	4.23	0.73	0.84
11	A	904	856	0.06	8.84	0.12	0.21
12	A	558	528	4.15	0.64	0.71	0.83
13	A	254	241	4.29	0.28	0.22	0.37
14	A	89	84	3.85	0.02	0.70	0.83
15	B	3190	3021	28.12	39.03	0.75	0.86
16	B	3155	2988	17.19	72.53	0.75	0.86
17	B	3119	2954	64.37	40.48	0.75	0.86
18	B	1567	1484	4.28	0.00	0.75	0.86
19	B	1454	1377	14.56	1.04	0.75	0.86
20	B	1425	1350	3.98	0.73	0.75	0.86
21	B	1293	1224	8.45	0.82	0.75	0.86
22	B	1159	1098	11.50	0.80	0.75	0.86
23	B	1122	1062	93.32	4.13	0.75	0.86
24	B	987	935	25.42	3.31	0.75	0.86
25	B	798	756	2.16	0.73	0.75	0.86
26	B	427	404	7.77	0.43	0.75	0.86
27	B	208	197	11.49	0.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.987
C2	0.000	1.255	0.143
C3	0.000	-1.255	0.143
F4	1.158	1.287	-0.631
F5	-1.158	-1.287	-0.631
H6	0.885	-0.003	1.632
H7	-0.885	0.003	1.632
H8	-0.853	1.270	-0.537
H9	-0.008	2.154	0.763
H10	0.853	-1.270	-0.537
H11	0.008	-2.154	0.763

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5120	1.5120	2.3694	2.3694	1.0947	1.0947	2.1597	2.1655	2.1597	2.1655
C2	1.5120		2.5094	1.3935	2.8980	2.1401	2.1369	1.0909	1.0922	2.7507	3.4645
C3	1.5120	2.5094		2.8980	1.3935	2.1369	2.1401	2.7507	3.4645	1.0909	1.0922
F4	2.3694	1.3935	2.8980		3.4622	2.6186	3.3078	2.0131	2.0137	2.5769	3.8863
F5	2.3694	2.8980	1.3935	3.4622		3.3078	2.6186	2.5769	3.8863	2.0131	2.0137
H6	1.0947	2.1401	2.1369	2.6186	3.3078		1.7693	3.0568	2.4904	2.5126	2.4802
H7	1.0947	2.1369	2.1401	3.3078	2.6186	1.7693		2.5126	2.4802	3.0568	2.4904
H8	2.1597	1.0909	2.7507	2.0131	2.5769	3.0568	2.5126		1.7846	3.0601	3.7626
H9	2.1655	1.0922	3.4645	2.0137	3.8863	2.4904	2.4802	1.7846		3.7626	4.3077
H10	2.1597	2.7507	1.0909	2.5769	2.0131	2.5126	3.0568	3.0601	3.7626		1.7846
H11	2.1655	3.4645	1.0922	3.8863	2.0137	2.4802	2.4904	3.7626	4.3077	1.7846

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.204	C1	C2	H8	111.104
C1	C2	H9	111.495	C1	C3	F5	109.204
C1	C3	H10	111.104	C1	C3	H11	111.495
C2	C1	C3	112.158	C2	C1	H6	109.318
C2	C1	H7	109.067	C3	C1	H6	109.067
C3	C1	H7	109.318	F4	C2	H8	107.628
F4	C2	H9	107.599	F5	C3	H10	107.628
F5	C3	H11	107.599	H6	C1	H7	107.816
H8	C2	H9	109.669	H10	C3	H11	109.669

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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