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	hartrees
Energy at 0K	-317.432509
Energy at 298.15K
HF Energy	-317.139870
Nuclear repulsion energy	188.042950

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	3153	3153	35.73	50.93	0.75	0.86
2	A	3096	3096	3.94	212.57	0.02	0.03
3	A	3067	3067	10.95	76.17	0.24	0.38
4	A	1549	1549	0.44	13.20	0.74	0.85
5	A	1491	1491	9.70	7.56	0.71	0.83
6	A	1464	1464	10.43	2.19	0.33	0.49
7	A	1337	1337	0.30	20.44	0.70	0.83
8	A	1266	1266	1.18	8.76	0.69	0.82
9	A	1136	1136	16.99	2.16	0.74	0.85
10	A	1013	1013	50.36	4.30	0.74	0.85
11	A	886	886	0.19	8.90	0.12	0.22
12	A	547	547	4.32	0.68	0.71	0.83
13	A	249	249	4.04	0.30	0.23	0.38
14	A	88	88	3.97	0.02	0.67	0.80
15	B	3154	3154	34.81	43.94	0.75	0.86
16	B	3114	3114	35.13	68.90	0.75	0.86
17	B	3092	3092	61.48	51.79	0.75	0.86
18	B	1551	1551	3.99	0.00	0.75	0.86
19	B	1440	1440	12.78	1.30	0.75	0.86
20	B	1419	1419	3.64	0.75	0.75	0.86
21	B	1280	1280	7.16	1.03	0.75	0.86
22	B	1144	1144	13.87	0.58	0.75	0.86
23	B	1093	1093	90.75	3.90	0.75	0.86
24	B	975	975	34.88	3.48	0.75	0.86
25	B	792	792	3.67	0.85	0.75	0.86
26	B	421	421	7.83	0.46	0.75	0.86
27	B	194	194	11.27	0.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.982
C2	0.000	1.259	0.141
C3	0.000	-1.259	0.141
F4	1.168	1.303	-0.626
F5	-1.168	-1.303	-0.626
H6	0.883	-0.004	1.629
H7	-0.883	0.004	1.629
H8	-0.845	1.274	-0.547
H9	-0.017	2.156	0.762
H10	0.845	-1.274	-0.547
H11	0.017	-2.156	0.762

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5143	1.5143	2.3762	2.3762	1.0942	1.0942	2.1621	2.1673	2.1621	2.1673
C2	1.5143		2.5187	1.3977	2.9182	2.1418	2.1374	1.0902	1.0912	2.7576	3.4716
C3	1.5143	2.5187		2.9182	1.3977	2.1374	2.1418	2.7576	3.4716	1.0902	1.0912
F4	2.3762	1.3977	2.9182		3.4986	2.6214	3.3128	2.0147	2.0152	2.5976	3.9005
F5	2.3762	2.9182	1.3977	3.4986		3.3128	2.6214	2.5976	3.9005	2.0147	2.0152
H6	1.0942	2.1418	2.1374	2.6214	3.3128		1.7654	3.0580	2.4951	2.5195	2.4762
H7	1.0942	2.1374	2.1418	3.3128	2.6214	1.7654		2.5195	2.4762	3.0580	2.4951
H8	2.1621	1.0902	2.7576	2.0147	2.5976	3.0580	2.5195		1.7830	3.0575	3.7714
H9	2.1673	1.0912	3.4716	2.0152	3.9005	2.4951	2.4762	1.7830		3.7714	4.3124
H10	2.1621	2.7576	1.0902	2.5976	2.0147	2.5195	3.0580	3.0575	3.7714		1.7830
H11	2.1673	3.4716	1.0912	3.9005	2.0152	2.4762	2.4951	3.7714	4.3124	1.7830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.304	C1	C2	H8	111.189
C1	C2	H9	111.546	C1	C3	F5	109.304
C1	C3	H10	111.189	C1	C3	H11	111.546
C2	C1	C3	112.537	C2	C1	H6	109.330
C2	C1	H7	108.986	C3	C1	H6	108.986
C3	C1	H7	109.330	F4	C2	H8	107.512
F4	C2	H9	107.490	F5	C3	H10	107.512
F5	C3	H11	107.490	H6	C1	H7	107.545
H8	C2	H9	109.646	H10	C3	H11	109.646

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-311G*

States and conformations

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