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	hartrees
Energy at 0K	-316.757938
Energy at 298.15K
HF Energy	-315.970226
Nuclear repulsion energy	189.209998

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	3226	3014	29.86	46.78	0.75	0.86
2	A	3156	2949	5.16	193.19	0.01	0.01
3	A	3142	2936	5.17	43.50	0.43	0.60
4	A	1581	1477	0.60	15.78	0.73	0.85
5	A	1523	1423	7.09	9.98	0.75	0.86
6	A	1488	1391	14.31	1.84	0.65	0.79
7	A	1350	1262	0.00	24.33	0.71	0.83
8	A	1277	1194	1.02	9.37	0.70	0.82
9	A	1158	1082	21.73	1.88	0.73	0.85
10	A	1046	978	35.23	5.15	0.68	0.81
11	A	915	855	0.08	9.66	0.12	0.22
12	A	560	524	3.84	0.66	0.71	0.83
13	A	255	239	3.79	0.19	0.24	0.39
14	A	90	84	3.10	0.01	0.66	0.79
15	B	3227	3016	34.20	25.68	0.75	0.86
16	B	3205	2994	11.31	77.57	0.75	0.86
17	B	3153	2946	67.90	36.91	0.75	0.86
18	B	1584	1480	2.37	0.05	0.75	0.86
19	B	1465	1369	14.92	1.76	0.75	0.86
20	B	1437	1343	5.32	0.96	0.75	0.86
21	B	1291	1206	8.03	0.77	0.75	0.86
22	B	1168	1092	13.48	1.07	0.75	0.86
23	B	1133	1059	76.52	4.30	0.75	0.86
24	B	1000	934	21.83	3.83	0.75	0.86
25	B	804	751	1.93	0.73	0.75	0.86
26	B	425	397	7.20	0.27	0.75	0.86
27	B	212	198	11.84	0.07	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.001
C2	0.000	1.248	0.150
C3	0.000	-1.248	0.150
F4	1.151	1.251	-0.644
F5	-1.151	-1.251	-0.644
H6	0.881	-0.003	1.643
H7	-0.881	0.003	1.643
H8	-0.865	1.262	-0.509
H9	0.007	2.149	0.761
H10	0.865	-1.262	-0.509
H11	-0.007	-2.149	0.761

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5100	1.5100	2.3657	2.3657	1.0903	1.0903	2.1501	2.1627	2.1501	2.1627
C2	1.5100		2.4951	1.3987	2.8633	2.1376	2.1337	1.0879	1.0890	2.7356	3.4513
C3	1.5100	2.4951		2.8633	1.3987	2.1337	2.1376	2.7356	3.4513	1.0879	1.0890
F4	2.3657	1.3987	2.8633		3.3998	2.6224	3.3043	2.0206	2.0223	2.5331	3.8571
F5	2.3657	2.8633	1.3987	3.3998		3.3043	2.6224	2.5331	3.8571	2.0206	2.0223
H6	1.0903	2.1376	2.1337	2.6224	3.3043		1.7624	3.0469	2.4851	2.4936	2.4846
H7	1.0903	2.1337	2.1376	3.3043	2.6224	1.7624		2.4936	2.4846	3.0469	2.4851
H8	2.1501	1.0879	2.7356	2.0206	2.5331	3.0469	2.4936		1.7777	3.0607	3.7402
H9	2.1627	1.0890	3.4513	2.0223	3.8571	2.4851	2.4846	1.7777		3.7402	4.2987
H10	2.1501	2.7356	1.0879	2.5331	2.0206	2.4936	3.0469	3.0607	3.7402		1.7777
H11	2.1627	3.4513	1.0890	3.8571	2.0223	2.4846	2.4851	3.7402	4.2987	1.7777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.782	C1	C2	H8	110.668
C1	C2	H9	111.616	C1	C3	F5	108.782
C1	C3	H10	110.668	C1	C3	H11	111.616
C2	C1	C3	111.420	C2	C1	H6	109.526
C2	C1	H7	109.223	C3	C1	H6	109.223
C3	C1	H7	109.526	F4	C2	H8	108.052
F4	C2	H9	108.116	F5	C3	H10	108.052
F5	C3	H11	108.116	H6	C1	H7	107.849
H8	C2	H9	109.502	H10	C3	H11	109.502

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

using model chemistry: MP2=FULL/6-31G**

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/6-31G**

States and conformations

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