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	hartrees
Energy at 0K	-316.943404
Energy at 298.15K
HF Energy	-316.051603
Nuclear repulsion energy	188.272293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3151	3151	32.49
2	A	3094	3094	3.90
3	A	3071	3071	9.03
4	A	1543	1543	0.99
5	A	1488	1488	13.67
6	A	1474	1474	5.56
7	A	1339	1339	0.65
8	A	1272	1272	1.12
9	A	1154	1154	26.24
10	A	1040	1040	36.03
11	A	896	896	0.07
12	A	547	547	4.46
13	A	251	251	3.66
14	A	86	86	3.86
15	B	3152	3152	32.83
16	B	3121	3121	23.42
17	B	3091	3091	61.93
18	B	1547	1547	2.94
19	B	1458	1458	15.05
20	B	1419	1419	3.66
21	B	1294	1294	8.29
22	B	1151	1151	17.41
23	B	1129	1129	92.95
24	B	987	987	20.99
25	B	799	799	3.48
26	B	426	426	7.89
27	B	201	201	11.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.985
C2	0.000	1.260	0.136
C3	0.000	-1.260	0.136
F4	1.164	1.298	-0.623
F5	-1.164	-1.298	-0.623
H6	0.888	-0.003	1.629
H7	-0.888	0.003	1.629
H8	-0.850	1.265	-0.553
H9	-0.025	2.159	0.759
H10	0.850	-1.265	-0.553
H11	0.025	-2.159	0.759

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5195	1.5195	2.3714	2.3714	1.0970	1.0970	2.1647	2.1713	2.1647	2.1713
C2	1.5195		2.5202	1.3900	2.9107	2.1479	2.1444	1.0937	1.0946	2.7516	3.4760
C3	1.5195	2.5202		2.9107	1.3900	2.1444	2.1479	2.7516	3.4760	1.0937	1.0946
F4	2.3714	1.3900	2.9107		3.4862	2.6151	3.3103	2.0151	2.0166	2.5825	3.8936
F5	2.3714	2.9107	1.3900	3.4862		3.3103	2.6151	2.5825	3.8936	2.0151	2.0166
H6	1.0970	2.1479	2.1444	2.6151	3.3103		1.7762	3.0638	2.5031	2.5206	2.4803
H7	1.0970	2.1444	2.1479	3.3103	2.6151	1.7762		2.5206	2.4803	3.0638	2.5031
H8	2.1647	1.0937	2.7516	2.0151	2.5825	3.0638	2.5206		1.7896	3.0474	3.7699
H9	2.1713	1.0946	3.4760	2.0166	3.8936	2.5031	2.4803	1.7896		3.7699	4.3192
H10	2.1647	2.7516	1.0937	2.5825	2.0151	2.5206	3.0638	3.0474	3.7699		1.7896
H11	2.1713	3.4760	1.0946	3.8936	2.0166	2.4803	2.5031	3.7699	4.3192	1.7896

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.111	C1	C2	H8	110.817
C1	C2	H9	111.289	C1	C3	F5	109.111
C1	C3	H10	110.817	C1	C3	H11	111.289
C2	C1	C3	112.057	C2	C1	H6	109.285
C2	C1	H7	109.014	C3	C1	H6	109.014
C3	C1	H7	109.285	F4	C2	H8	107.860
F4	C2	H9	107.924	F5	C3	H10	107.860
F5	C3	H11	107.924	H6	C1	H7	108.105
H8	C2	H9	109.732	H10	C3	H11	109.732

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

using model chemistry: CCSD/6-311G**

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: CCSD/6-311G**

States and conformations

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