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	hartrees
Energy at 0K	-316.613797
Energy at 298.15K
HF Energy	-315.961112
Nuclear repulsion energy	189.401311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3260	3018	33.26
2	A	3201	2964	4.92
3	A	3172	2937	8.08
4	A	1621	1501	0.36
5	A	1566	1450	8.59
6	A	1530	1416	14.46
7	A	1383	1281	0.13
8	A	1313	1215	0.92
9	A	1195	1106	26.74
10	A	1080	1000	39.59
11	A	930	861	0.06
12	A	574	532	4.24
13	A	262	242	4.42
14	A	91	84	3.84
15	B	3260	3018	35.33
16	B	3222	2983	23.88
17	B	3197	2959	62.09
18	B	1624	1504	2.18
19	B	1513	1400	16.18
20	B	1479	1370	6.73
21	B	1327	1229	7.63
22	B	1198	1109	23.60
23	B	1170	1084	88.67
24	B	1027	951	23.40
25	B	830	768	2.50
26	B	434	402	8.25
27	B	212	196	12.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.990
C2	0.000	1.252	0.144
C3	0.000	-1.252	0.144
F4	1.150	1.267	-0.634
F5	-1.150	-1.267	-0.634
H6	0.881	-0.003	1.633
H7	-0.881	0.003	1.633
H8	-0.856	1.273	-0.525
H9	0.001	2.150	0.759
H10	0.856	-1.273	-0.525
H11	-0.001	-2.150	0.759

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5107	1.5107	2.3590	2.3590	1.0905	1.0905	2.1557	2.1623	2.1557	2.1623
C2	1.5107		2.5036	1.3883	2.8763	2.1369	2.1335	1.0865	1.0880	2.7484	3.4567
C3	1.5107	2.5036		2.8763	1.3883	2.1335	2.1369	2.7484	3.4567	1.0865	1.0880
F4	2.3590	1.3883	2.8763		3.4221	2.6125	3.2955	2.0084	2.0092	2.5594	3.8652
F5	2.3590	2.8763	1.3883	3.4221		3.2955	2.6125	2.5594	3.8652	2.0084	2.0092
H6	1.0905	2.1369	2.1335	2.6125	3.2955		1.7614	3.0495	2.4846	2.5040	2.4803
H7	1.0905	2.1335	2.1369	3.2955	2.6125	1.7614		2.5040	2.4803	3.0495	2.4846
H8	2.1557	1.0865	2.7484	2.0084	2.5594	3.0495	2.5040		1.7749	3.0674	3.7539
H9	2.1623	1.0880	3.4567	2.0092	3.8652	2.4846	2.4803	1.7749		3.7539	4.2997
H10	2.1557	2.7484	1.0865	2.5594	2.0084	2.5040	3.0495	3.0674	3.7539		1.7749
H11	2.1623	3.4567	1.0880	3.8652	2.0092	2.4803	2.4846	3.7539	4.2997	1.7749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.847	C1	C2	H8	111.148
C1	C2	H9	111.589	C1	C3	F5	108.847
C1	C3	H10	111.148	C1	C3	H11	111.589
C2	C1	C3	111.913	C2	C1	H6	109.409
C2	C1	H7	109.145	C3	C1	H6	109.145
C3	C1	H7	109.409	F4	C2	H8	107.865
F4	C2	H9	107.844	F5	C3	H10	107.865
F5	C3	H11	107.844	H6	C1	H7	107.726
H8	C2	H9	109.417	H10	C3	H11	109.417

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

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

States and conformations

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