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	hartrees
Energy at 0K	-316.689812
Energy at 298.15K
HF Energy	-315.959778
Nuclear repulsion energy	188.742892

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	3201	3019	27.42	46.71	0.75	0.86
2	A	3134	2955	4.47	179.62	0.01	0.02
3	A	3116	2938	5.59	54.65	0.31	0.47
4	A	1585	1494	0.44	16.47	0.73	0.84
5	A	1529	1442	8.04	10.46	0.75	0.86
6	A	1485	1400	13.36	2.06	0.67	0.80
7	A	1347	1270	0.00	24.98	0.70	0.83
8	A	1275	1202	0.88	10.36	0.71	0.83
9	A	1155	1090	19.48	2.01	0.74	0.85
10	A	1043	983	38.32	5.23	0.67	0.80
11	A	914	862	0.07	9.66	0.13	0.23
12	A	563	531	3.76	0.68	0.72	0.84
13	A	259	244	4.25	0.19	0.25	0.40
14	A	91	86	3.30	0.01	0.64	0.78
15	B	3202	3020	30.71	31.34	0.75	0.86
16	B	3173	2992	12.22	72.84	0.75	0.86
17	B	3132	2953	62.55	39.30	0.75	0.86
18	B	1588	1497	2.48	0.06	0.75	0.86
19	B	1461	1378	13.86	2.06	0.75	0.86
20	B	1437	1355	5.93	1.17	0.75	0.86
21	B	1286	1212	7.59	0.89	0.75	0.86
22	B	1170	1103	13.18	1.13	0.75	0.86
23	B	1128	1064	75.62	4.41	0.75	0.86
24	B	1000	943	24.94	4.02	0.75	0.86
25	B	807	761	1.76	0.78	0.75	0.86
26	B	424	400	7.43	0.28	0.75	0.86
27	B	215	203	12.08	0.07	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.002
C2	0.000	1.250	0.151
C3	0.000	-1.250	0.151
F4	1.155	1.251	-0.645
F5	-1.155	-1.251	-0.645
H6	0.885	-0.002	1.648
H7	-0.885	0.002	1.648
H8	-0.866	1.270	-0.514
H9	0.012	2.157	0.762
H10	0.866	-1.270	-0.514
H11	-0.012	-2.157	0.762

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5128	1.5128	2.3693	2.3693	1.0957	1.0957	2.1593	2.1703	2.1593	2.1703
C2	1.5128		2.5006	1.4026	2.8679	2.1433	2.1408	1.0922	1.0938	2.7465	3.4618
C3	1.5128	2.5006		2.8679	1.4026	2.1408	2.1433	2.7465	3.4618	1.0922	1.0938
F4	2.3693	1.4026	2.8679		3.4056	2.6269	3.3137	2.0256	2.0269	2.5408	3.8676
F5	2.3693	2.8679	1.4026	3.4056		3.3137	2.6269	2.5408	3.8676	2.0256	2.0269
H6	1.0957	2.1433	2.1408	2.6269	3.3137		1.7706	3.0594	2.4916	2.5064	2.4965
H7	1.0957	2.1408	2.1433	3.3137	2.6269	1.7706		2.5064	2.4965	3.0594	2.4916
H8	2.1593	1.0922	2.7465	2.0256	2.5408	3.0594	2.5064		1.7856	3.0742	3.7553
H9	2.1703	1.0938	3.4618	2.0269	3.8676	2.4916	2.4965	1.7856		3.7553	4.3140
H10	2.1593	2.7465	1.0922	2.5408	2.0256	2.5064	3.0594	3.0742	3.7553		1.7856
H11	2.1703	3.4618	1.0938	3.8676	2.0269	2.4965	2.4916	3.7553	4.3140	1.7856

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.657	C1	C2	H8	110.944
C1	C2	H9	111.729	C1	C3	F5	108.657
C1	C3	H10	110.944	C1	C3	H11	111.729
C2	C1	C3	111.482	C2	C1	H6	109.465
C2	C1	H7	109.275	C3	C1	H6	109.275
C3	C1	H7	109.465	F4	C2	H8	107.922
F4	C2	H9	107.927	F5	C3	H10	107.922
F5	C3	H11	107.927	H6	C1	H7	107.803
H8	C2	H9	109.536	H10	C3	H11	109.536

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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