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	hartrees
Energy at 0K	-311.968553
Energy at 298.15K
HF Energy	-311.777912
Nuclear repulsion energy	183.208742

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	3446	3063	11.95	23.23	0.67	0.80
2	A	3412	3033	0.49	37.83	0.19	0.32
3	A	3337	2967	0.15	48.96	0.02	0.04
4	A	1716	1525	0.24	15.85	0.75	0.86
5	A	1688	1500	0.49	15.26	0.75	0.86
6	A	1594	1417	10.77	5.45	0.62	0.77
7	A	1427	1269	0.20	27.05	0.74	0.85
8	A	1342	1193	2.86	8.82	0.73	0.84
9	A	1258	1118	7.07	1.98	0.75	0.86
10	A	1133	1007	0.15	5.13	0.56	0.72
11	A	935	831	0.61	9.00	0.19	0.33
12	A	540	480	0.47	0.93	0.73	0.84
13	A	232	206	1.34	0.25	0.38	0.55
14	A	74	66	1.22	0.08	0.74	0.85
15	B	3530	3138	1.69	25.06	0.75	0.86
16	B	3444	3061	9.08	31.82	0.75	0.86
17	B	3338	2967	21.35	18.62	0.75	0.86
18	B	1713	1523	0.92	2.11	0.75	0.86
19	B	1564	1390	16.96	2.41	0.75	0.86
20	B	1538	1367	14.33	0.31	0.75	0.86
21	B	1352	1202	6.92	0.31	0.75	0.86
22	B	1281	1139	11.47	2.89	0.75	0.86
23	B	1202	1068	5.83	4.68	0.75	0.86
24	B	1060	942	0.06	3.35	0.75	0.86
25	B	861	765	0.38	1.29	0.75	0.86
26	B	412	366	2.20	0.37	0.75	0.86
27	B	130	116	2.16	0.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.012
C2	0.000	1.302	0.131
C3	0.000	-1.302	0.131
F4	1.171	1.398	-0.637
F5	-1.171	-1.398	-0.637
H6	0.895	-0.009	1.660
H7	-0.895	0.009	1.660
H8	-0.893	1.288	-0.540
H9	-0.092	2.195	0.795
H10	0.893	-1.288	-0.540
H11	0.092	-2.195	0.795

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5715	1.5715	2.4587	2.4587	1.1058	1.1058	2.2055	2.2075	2.2055	2.2075
C2	1.5715		2.6033	1.4038	3.0414	2.2044	2.1934	1.1172	1.1171	2.8206	3.5604
C3	1.5715	2.6033		3.0414	1.4038	2.1934	2.2044	2.8206	3.5604	1.1172	1.1171
F4	2.4587	1.4038	3.0414		3.6472	2.7087	3.3880	2.0695	2.0694	2.7025	4.0160
F5	2.4587	3.0414	1.4038	3.6472		3.3880	2.7087	2.7025	4.0160	2.0695	2.0694
H6	1.1058	2.2044	2.1934	2.7087	3.3880		1.7908	3.1183	2.5655	2.5448	2.4842
H7	1.1058	2.1934	2.2044	3.3880	2.7087	1.7908		2.5448	2.4842	3.1183	2.5655
H8	2.2055	1.1172	2.8206	2.0695	2.7025	3.1183	2.5448		1.8020	3.1356	3.8583
H9	2.2075	1.1171	3.5604	2.0694	4.0160	2.5655	2.4842	1.8020		3.8583	4.3939
H10	2.2055	2.8206	1.1172	2.7025	2.0695	2.5448	3.1183	3.1356	3.8583		1.8020
H11	2.2075	3.5604	1.1171	4.0160	2.0694	2.4842	2.5655	3.8583	4.3939	1.8020

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	111.325	C1	C2	H8	109.054
C1	C2	H9	109.212	C1	C3	F5	111.325
C1	C3	H10	109.054	C1	C3	H11	109.212
C2	C1	C3	111.843	C2	C1	H6	109.620
C2	C1	H7	108.772	C3	C1	H6	108.772
C3	C1	H7	109.620	F4	C2	H8	109.828
F4	C2	H9	109.826	F5	C3	H10	109.828
F5	C3	H11	109.826	H6	C1	H7	108.141
H8	C2	H9	107.511	H10	C3	H11	107.511

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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