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	hartrees
Energy at 0K	-316.731591
Energy at 298.15K
HF Energy	-315.959530
Nuclear repulsion energy	188.361648

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3154	3003	32.25
2	A	3097	2949	5.80
3	A	3075	2928	7.13
4	A	1572	1497	0.37
5	A	1521	1449	7.54
6	A	1477	1406	13.33
7	A	1338	1274	0.00
8	A	1269	1209	0.81
9	A	1152	1097	20.24
10	A	1039	989	38.09
11	A	906	863	0.11
12	A	560	533	3.99
13	A	257	245	4.19
14	A	89	85	3.45
15	B	3155	3004	36.14
16	B	3123	2974	18.10
17	B	3093	2946	64.66
18	B	1575	1500	2.20
19	B	1459	1390	12.89
20	B	1431	1362	7.05
21	B	1280	1219	6.88
22	B	1164	1108	13.84
23	B	1126	1073	77.33
24	B	994	947	25.16
25	B	803	765	2.30
26	B	422	402	7.75
27	B	211	201	12.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.001
C2	0.000	1.255	0.149
C3	0.000	-1.255	0.149
F4	1.157	1.259	-0.643
F5	-1.157	-1.259	-0.643
H6	0.887	-0.002	1.649
H7	-0.887	0.002	1.649
H8	-0.866	1.275	-0.521
H9	0.009	2.163	0.764
H10	0.866	-1.275	-0.521
H11	-0.009	-2.163	0.764

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5165	1.5165	2.3724	2.3724	1.0986	1.0986	2.1659	2.1759	2.1659	2.1759
C2	1.5165		2.5094	1.4024	2.8787	2.1484	2.1458	1.0950	1.0967	2.7565	3.4724
C3	1.5165	2.5094		2.8787	1.4024	2.1458	2.1484	2.7565	3.4724	1.0950	1.0967
F4	2.3724	1.4024	2.8787		3.4201	2.6302	3.3185	2.0267	2.0283	2.5540	3.8796
F5	2.3724	2.8787	1.4024	3.4201		3.3185	2.6302	2.5540	3.8796	2.0267	2.0283
H6	1.0986	2.1484	2.1458	2.6302	3.3185		1.7748	3.0679	2.4985	2.5152	2.5010
H7	1.0986	2.1458	2.1484	3.3185	2.6302	1.7748		2.5152	2.5010	3.0679	2.4985
H8	2.1659	1.0950	2.7565	2.0267	2.5540	3.0679	2.5152		1.7900	3.0827	3.7688
H9	2.1759	1.0967	3.4724	2.0283	3.8796	2.4985	2.5010	1.7900		3.7688	4.3259
H10	2.1659	2.7565	1.0950	2.5540	2.0267	2.5152	3.0679	3.0827	3.7688		1.7900
H11	2.1759	3.4724	1.0967	3.8796	2.0283	2.5010	2.4985	3.7688	4.3259	1.7900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.673	C1	C2	H8	111.036
C1	C2	H9	111.743	C1	C3	F5	108.673
C1	C3	H10	111.036	C1	C3	H11	111.743
C2	C1	C3	111.661	C2	C1	H6	109.441
C2	C1	H7	109.233	C3	C1	H6	109.233
C3	C1	H7	109.441	F4	C2	H8	107.856
F4	C2	H9	107.888	F5	C3	H10	107.856
F5	C3	H11	107.888	H6	C1	H7	107.748
H8	C2	H9	109.512	H10	C3	H11	109.512

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

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

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