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	hartrees
Energy at 0K	-316.816484
Energy at 298.15K
HF Energy	-315.981956
Nuclear repulsion energy	187.786745

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3156	3019	35.30
2	A	3098	2964	4.61
3	A	3081	2947	6.72
4	A	1519	1454	0.81
5	A	1466	1403	17.24
6	A	1456	1392	4.95
7	A	1322	1265	0.51
8	A	1256	1202	0.83
9	A	1153	1103	31.56
10	A	1041	996	30.24
11	A	898	859	0.11
12	A	541	517	3.84
13	A	248	237	3.55
14	A	86	82	3.60
15	B	3158	3021	37.18
16	B	3137	3001	15.85
17	B	3093	2960	68.25
18	B	1523	1457	2.79
19	B	1444	1381	17.06
20	B	1402	1341	4.50
21	B	1276	1221	8.22
22	B	1141	1092	11.88
23	B	1138	1089	98.25
24	B	982	939	17.96
25	B	791	757	2.69
26	B	419	401	7.43
27	B	196	188	10.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.988
C2	0.000	1.262	0.136
C3	0.000	-1.262	0.136
F4	1.163	1.301	-0.625
F5	-1.163	-1.301	-0.625
H6	0.894	-0.003	1.640
H7	-0.894	0.003	1.640
H8	-0.862	1.263	-0.554
H9	-0.033	2.170	0.763
H10	0.862	-1.263	-0.554
H11	0.033	-2.170	0.763

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5227	1.5227	2.3769	2.3769	1.1057	1.1057	2.1718	2.1815	2.1718	2.1815
C2	1.5227		2.5231	1.3902	2.9155	2.1587	2.1548	1.1036	1.1042	2.7553	3.4882
C3	1.5227	2.5231		2.9155	1.3902	2.1548	2.1587	2.7553	3.4882	1.1036	1.1042
F4	2.3769	1.3902	2.9155		3.4904	2.6276	3.3232	2.0260	2.0277	2.5830	3.9053
F5	2.3769	2.9155	1.3902	3.4904		3.3232	2.6276	2.5830	3.9053	2.0260	2.0277
H6	1.1057	2.1587	2.1548	2.6276	3.3232		1.7874	3.0816	2.5197	2.5297	2.4903
H7	1.1057	2.1548	2.1587	3.3232	2.6276	1.7874		2.5297	2.4903	3.0816	2.5197
H8	2.1718	1.1036	2.7553	2.0260	2.5830	3.0816	2.5297		1.8008	3.0578	3.7839
H9	2.1815	1.1042	3.4882	2.0277	3.9053	2.5197	2.4903	1.8008		3.7839	4.3397
H10	2.1718	2.7553	1.1036	2.5830	2.0260	2.5297	3.0816	3.0578	3.7839		1.8008
H11	2.1815	3.4882	1.1042	3.9053	2.0277	2.4903	2.5197	3.7839	4.3397	1.8008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	109.286	C1	C2	H8	110.552
C1	C2	H9	111.293	C1	C3	F5	109.286
C1	C3	H10	110.552	C1	C3	H11	111.293
C2	C1	C3	111.890	C2	C1	H6	109.406
C2	C1	H7	109.103	C3	C1	H6	109.103
C3	C1	H7	109.406	F4	C2	H8	108.108
F4	C2	H9	108.212	F5	C3	H10	108.108
F5	C3	H11	108.212	H6	C1	H7	107.845
H8	C2	H9	109.303	H10	C3	H11	109.303

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

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

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