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	hartrees
Energy at 0K	-316.916759
Energy at 298.15K
HF Energy	-315.984313
Nuclear repulsion energy	189.819862

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	3185	3008	23.07	43.27	0.74	0.85
2	A	3121	2948	6.12	200.67	0.00	0.01
3	A	3114	2941	0.89	33.52	0.64	0.78
4	A	1547	1461	1.14	12.82	0.72	0.84
5	A	1484	1402	7.34	7.80	0.75	0.85
6	A	1466	1385	9.60	1.56	0.60	0.75
7	A	1333	1259	0.55	20.58	0.71	0.83
8	A	1269	1198	0.53	6.13	0.62	0.76
9	A	1152	1088	28.36	1.28	0.73	0.84
10	A	1041	983	29.78	4.44	0.65	0.79
11	A	904	854	0.00	9.90	0.11	0.20
12	A	548	518	2.88	0.52	0.67	0.80
13	A	252	238	3.47	0.17	0.24	0.39
14	A	86	81	2.75	0.02	0.67	0.80
15	B	3190	3013	25.14	12.13	0.75	0.86
16	B	3174	2998	8.36	84.64	0.75	0.86
17	B	3117	2944	57.02	33.47	0.75	0.86
18	B	1551	1465	4.07	0.01	0.75	0.86
19	B	1436	1356	13.33	1.65	0.75	0.86
20	B	1407	1329	0.84	0.31	0.75	0.86
21	B	1287	1216	8.34	0.63	0.75	0.86
22	B	1146	1083	29.10	0.49	0.75	0.86
23	B	1131	1069	67.52	3.89	0.75	0.86
24	B	987	932	14.82	3.32	0.75	0.86
25	B	789	745	0.88	0.59	0.75	0.86
26	B	416	393	6.19	0.21	0.75	0.86
27	B	206	194	9.96	0.06	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.003
C2	0.000	1.247	0.143
C3	0.000	-1.247	0.143
F4	1.140	1.251	-0.638
F5	-1.140	-1.251	-0.638
H6	0.884	-0.004	1.645
H7	-0.884	0.004	1.645
H8	-0.869	1.254	-0.518
H9	-0.004	2.153	0.752
H10	0.869	-1.254	-0.518
H11	0.004	-2.153	0.752

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5143	1.5143	2.3575	2.3575	1.0930	1.0930	2.1536	2.1679	2.1536	2.1679
C2	1.5143		2.4936	1.3821	2.8548	2.1450	2.1409	1.0917	1.0923	2.7282	3.4544
C3	1.5143	2.4936		2.8548	1.3821	2.1409	2.1450	2.7282	3.4544	1.0917	1.0923
F4	2.3575	1.3821	2.8548		3.3851	2.6180	3.2967	2.0122	2.0140	2.5222	3.8492
F5	2.3575	2.8548	1.3821	3.3851		3.2967	2.6180	2.5222	3.8492	2.0122	2.0140
H6	1.0930	2.1450	2.1409	2.6180	3.2967		1.7684	3.0548	2.4976	2.4983	2.4889
H7	1.0930	2.1409	2.1450	3.2967	2.6180	1.7684		2.4983	2.4889	3.0548	2.4976
H8	2.1536	1.0917	2.7282	2.0122	2.5222	3.0548	2.4983		1.7810	3.0502	3.7393
H9	2.1679	1.0923	3.4544	2.0140	3.8492	2.4976	2.4889	1.7810		3.7393	4.3069
H10	2.1536	2.7282	1.0917	2.5222	2.0122	2.4983	3.0548	3.0502	3.7393		1.7810
H11	2.1679	3.4544	1.0923	3.8492	2.0140	2.4889	2.4976	3.7393	4.3069	1.7810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.878	C1	C2	H8	110.412
C1	C2	H9	111.518	C1	C3	F5	108.878
C1	C3	H10	110.412	C1	C3	H11	111.518
C2	C1	C3	110.836	C2	C1	H6	109.652
C2	C1	H7	109.329	C3	C1	H6	109.329
C3	C1	H7	109.652	F4	C2	H8	108.294
F4	C2	H9	108.393	F5	C3	H10	108.294
F5	C3	H11	108.393	H6	C1	H7	107.993
H8	C2	H9	109.266	H10	C3	H11	109.266

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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