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	hartrees
Energy at 0K	-316.610414
Energy at 298.15K
HF Energy	-315.961154
Nuclear repulsion energy	189.426692

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3263	3014	32.65
2	A	3204	2960	4.71
3	A	3175	2933	7.84
4	A	1622	1498	0.38
5	A	1566	1447	8.77
6	A	1531	1414	14.36
7	A	1384	1279	0.15
8	A	1314	1214	0.90
9	A	1197	1106	27.54
10	A	1083	1000	38.70
11	A	931	860	0.05
12	A	575	531	4.22
13	A	262	242	4.45
14	A	91	84	3.88
15	B	3263	3014	34.58
16	B	3226	2980	22.68
17	B	3200	2955	61.53
18	B	1625	1501	2.25
19	B	1514	1399	16.40
20	B	1480	1367	6.69
21	B	1329	1227	7.67
22	B	1199	1107	26.06
23	B	1174	1084	87.55
24	B	1029	950	22.50
25	B	831	768	2.40
26	B	435	402	8.27
27	B	212	196	12.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.989
C2	0.000	1.252	0.144
C3	0.000	-1.252	0.144
F4	1.149	1.269	-0.633
F5	-1.149	-1.269	-0.633
H6	0.880	-0.003	1.632
H7	-0.880	0.003	1.632
H8	-0.855	1.273	-0.525
H9	-0.000	2.149	0.759
H10	0.855	-1.273	-0.525
H11	0.000	-2.149	0.759

	C1	C2	C3	F4	F5	H6	H7	H8	H9	H10	H11
C1		1.5106	1.5106	2.3586	2.3586	1.0903	1.0903	2.1556	2.1618	2.1556	2.1618
C2	1.5106		2.5038	1.3875	2.8773	2.1365	2.1332	1.0864	1.0878	2.7485	3.4565
C3	1.5106	2.5038		2.8773	1.3875	2.1332	2.1365	2.7485	3.4565	1.0864	1.0878
F4	2.3586	1.3875	2.8773		3.4240	2.6118	3.2947	2.0076	2.0084	2.5609	3.8655
F5	2.3586	2.8773	1.3875	3.4240		3.2947	2.6118	2.5609	3.8655	2.0076	2.0084
H6	1.0903	2.1365	2.1332	2.6118	3.2947		1.7609	3.0491	2.4842	2.5040	2.4793
H7	1.0903	2.1332	2.1365	3.2947	2.6118	1.7609		2.5040	2.4793	3.0491	2.4842
H8	2.1556	1.0864	2.7485	2.0076	2.5609	3.0491	2.5040		1.7744	3.0672	3.7541
H9	2.1618	1.0878	3.4565	2.0084	3.8655	2.4842	2.4793	1.7744		3.7541	4.2990
H10	2.1556	2.7485	1.0864	2.5609	2.0076	2.5040	3.0491	3.0672	3.7541		1.7744
H11	2.1618	3.4565	1.0878	3.8655	2.0084	2.4793	2.4842	3.7541	4.2990	1.7744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	108.873	C1	C2	H8	111.153
C1	C2	H9	111.570	C1	C3	F5	108.873
C1	C3	H10	111.153	C1	C3	H11	111.570
C2	C1	C3	111.942	C2	C1	H6	109.401
C2	C1	H7	109.143	C3	C1	H6	109.143
C3	C1	H7	109.401	F4	C2	H8	107.873
F4	C2	H9	107.845	F5	C3	H10	107.873
F5	C3	H11	107.845	H6	C1	H7	107.716
H8	C2	H9	109.398	H10	C3	H11	109.398

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

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

States and conformations

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