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	hartrees
Energy at 0K	-316.690998
Energy at 298.15K
HF Energy	-315.983086
Nuclear repulsion energy	188.827179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3250	2996	34.96
2	A	3190	2941	3.90
3	A	3164	2917	8.54
4	A	1565	1443	0.48
5	A	1511	1393	19.80
6	A	1499	1382	3.92
7	A	1364	1257	0.67
8	A	1294	1193	1.04
9	A	1185	1092	33.14
10	A	1069	986	38.18
11	A	922	850	0.28
12	A	556	513	4.15
13	A	254	234	3.90
14	A	89	82	4.01
15	B	3250	2996	34.91
16	B	3220	2968	22.64
17	B	3185	2936	66.14
18	B	1568	1446	2.48
19	B	1494	1377	17.78
20	B	1446	1333	5.44
21	B	1314	1211	8.68
22	B	1175	1083	11.46
23	B	1165	1074	114.28
24	B	1010	931	23.37
25	B	816	752	3.46
26	B	432	398	8.01
27	B	201	185	11.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.980
C2	0.000	1.256	0.135
C3	0.000	-1.256	0.135
F4	1.158	1.299	-0.620
F5	-1.158	-1.299	-0.620
H6	0.887	-0.004	1.627
H7	-0.887	0.004	1.627
H8	-0.852	1.261	-0.553
H9	-0.032	2.156	0.758
H10	0.852	-1.261	-0.553
H11	0.032	-2.156	0.758

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5140	1.5140	2.3633	2.3633	1.0975	1.0975	2.1600	2.1674	2.1600	2.1674
C2	1.5140		2.5122	1.3824	2.9046	2.1448	2.1400	1.0948	1.0954	2.7450	3.4686
C3	1.5140	2.5122		2.9046	1.3824	2.1400	2.1448	2.7450	3.4686	1.0948	1.0954
F4	2.3633	1.3824	2.9046		3.4797	2.6109	3.3017	2.0110	2.0123	2.5790	3.8860
F5	2.3633	2.9046	1.3824	3.4797		3.3017	2.6109	2.5790	3.8860	2.0110	2.0123
H6	1.0975	2.1448	2.1400	2.6109	3.3017		1.7733	3.0617	2.5025	2.5164	2.4726
H7	1.0975	2.1400	2.1448	3.3017	2.6109	1.7733		2.5164	2.4726	3.0617	2.5025
H8	2.1600	1.0948	2.7450	2.0110	2.5790	3.0617	2.5164		1.7868	3.0438	3.7652
H9	2.1674	1.0954	3.4686	2.0123	3.8860	2.5025	2.4726	1.7868		3.7652	4.3121
H10	2.1600	2.7450	1.0948	2.5790	2.0110	2.5164	3.0617	3.0438	3.7652		1.7868
H11	2.1674	3.4686	1.0954	3.8860	2.0123	2.4726	2.5025	3.7652	4.3121	1.7868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.283	C1	C2	H8	110.762
C1	C2	H9	111.315	C1	C3	F5	109.283
C1	C3	H10	110.762	C1	C3	H11	111.315
C2	C1	C3	112.128	C2	C1	H6	109.397
C2	C1	H7	109.021	C3	C1	H6	109.021
C3	C1	H7	109.397	F4	C2	H8	107.988
F4	C2	H9	108.052	F5	C3	H10	107.988
F5	C3	H11	108.052	H6	C1	H7	107.779
H8	C2	H9	109.342	H10	C3	H11	109.342

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

using model chemistry: CISD/cc-pVDZ

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: CISD/cc-pVDZ

States and conformations

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