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	hartrees
Energy at 0K	-217.763302
Energy at 298.15K	-217.771191
HF Energy	-217.133263
Nuclear repulsion energy	132.307587

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3048	19.36
2	A'	3203	3044	35.98
3	A'	3099	2945	13.50
4	A'	3096	2942	32.24
5	A'	1513	1438	5.35
6	A'	1490	1416	5.90
7	A'	1418	1347	24.65
8	A'	1386	1317	9.52
9	A'	1209	1149	15.91
10	A'	1171	1113	45.26
11	A'	983	934	30.09
12	A'	845	803	10.13
13	A'	478	455	2.90
14	A'	352	335	0.72
15	A'	272	258	0.18
16	A"	3205	3046	12.38
17	A"	3197	3039	0.04
18	A"	3095	2941	13.52
19	A"	1487	1413	0.02
20	A"	1480	1407	0.24
21	A"	1423	1352	34.02
22	A"	1372	1304	1.22
23	A"	1186	1127	11.44
24	A"	945	898	0.06
25	A"	930	884	0.40
26	A"	408	388	6.77
27	A"	222	211	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.280	0.245	0.000
F2	-0.871	1.046	0.000
H3	1.144	0.934	0.000
C4	0.280	-0.587	1.269
C5	0.280	-0.587	-1.269
H6	1.194	-1.197	1.329
H7	1.194	-1.197	-1.329
H8	0.232	0.064	2.154
H9	0.232	0.064	-2.154
H10	-0.594	-1.257	1.280
H11	-0.594	-1.257	-1.280

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4016	1.1049	1.5172	1.5172	2.1639	2.1639	2.1625	2.1625	2.1585	2.1585
F2	1.4016		2.0177	2.3660	2.3660	3.3257	3.3257	2.6116	2.6116	2.6493	2.6493
H3	1.1049	2.0177		2.1607	2.1607	2.5119	2.5119	2.4959	2.4959	3.0756	3.0756
C4	1.5172	2.3660	2.1607		2.5373	1.1012	2.8206	1.1001	3.4846	1.1014	2.7760
C5	1.5172	2.3660	2.1607	2.5373		2.8206	1.1012	3.4846	1.1001	2.7760	1.1014
H6	2.1639	3.3257	2.5119	1.1012	2.8206		2.6576	1.7883	3.8274	1.7897	3.1629
H7	2.1639	3.3257	2.5119	2.8206	1.1012	2.6576		3.8274	1.7883	3.1629	1.7897
H8	2.1625	2.6116	2.4959	1.1001	3.4846	1.7883	3.8274		4.3087	1.7871	3.7709
H9	2.1625	2.6116	2.4959	3.4846	1.1001	3.8274	1.7883	4.3087		3.7709	1.7871
H10	2.1585	2.6493	3.0756	1.1014	2.7760	1.7897	3.1629	1.7871	3.7709		2.5590
H11	2.1585	2.6493	3.0756	2.7760	1.1014	3.1629	1.7897	3.7709	1.7871	2.5590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.413	C1	C4	H10	110.019
C1	C5	H7	110.463	C1	C5	H9	110.413
C1	C5	H11	110.019	F2	C1	H3	106.621
F2	C1	C4	108.248	F2	C1	C5	108.248
H3	C1	C4	109.991	H3	C1	C5	109.991
C4	C1	C5	113.482	H7	C5	H9	108.665
H7	C5	H11	108.695	H8	C4	H10	108.535
H9	C5	H11	108.535

All results from a given calculation for CH₃CHFCH₃ (2-Fluoropropane)

using model chemistry: MP2=FULL/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 CH3CHFCH3 (2-Fluoropropane)

using model chemistry: MP2=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHFCH₃ (2-Fluoropropane)