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	hartrees
Energy at 0K	-216.358350
Energy at 298.15K	-216.366229
HF Energy	-215.934913
Nuclear repulsion energy	131.136961

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3161	3161	36.40
2	A'	3159	3159	30.67
3	A'	3086	3086	4.73
4	A'	3083	3083	28.29
5	A'	1603	1603	10.16
6	A'	1586	1586	4.80
7	A'	1500	1500	11.05
8	A'	1441	1441	20.35
9	A'	1257	1257	11.77
10	A'	1217	1217	22.55
11	A'	996	996	21.10
12	A'	825	825	1.88
13	A'	465	465	2.65
14	A'	353	353	1.43
15	A'	260	260	0.22
16	A"	3157	3157	11.09
17	A"	3152	3152	3.20
18	A"	3083	3083	9.92
19	A"	1582	1582	0.36
20	A"	1575	1575	0.88
21	A"	1483	1483	13.09
22	A"	1450	1450	14.90
23	A"	1181	1181	16.59
24	A"	1000	1000	1.33
25	A"	968	968	0.05
26	A"	379	379	7.16
27	A"	227	227	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.292	0.255	0.000
F2	-0.903	1.047	0.000
H3	1.149	0.939	0.000
C4	0.292	-0.592	1.280
C5	0.292	-0.592	-1.280
H6	1.204	-1.196	1.334
H7	1.204	-1.196	-1.334
H8	0.236	0.058	2.159
H9	0.236	0.058	-2.159
H10	-0.580	-1.255	1.275
H11	-0.580	-1.255	-1.275

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4337	1.0965	1.5346	1.5346	2.1715	2.1715	2.1687	2.1687	2.1600	2.1600
F2	1.4337		2.0547	2.3983	2.3983	3.3537	3.3537	2.6336	2.6336	2.6509	2.6509
H3	1.0965	2.0547		2.1717	2.1717	2.5181	2.5181	2.5043	2.5043	3.0705	3.0705
C4	1.5346	2.3983	2.1717		2.5596	1.0948	2.8334	1.0947	3.5001	1.0954	2.7799
C5	1.5346	2.3983	2.1717	2.5596		2.8334	1.0948	3.5001	1.0947	2.7799	1.0954
H6	2.1715	3.3537	2.5181	1.0948	2.8334		2.6683	1.7858	3.8354	1.7858	3.1613
H7	2.1715	3.3537	2.5181	2.8334	1.0948	2.6683		3.8354	1.7858	3.1613	1.7858
H8	2.1687	2.6336	2.5043	1.0947	3.5001	1.7858	3.8354		4.3179	1.7803	3.7659
H9	2.1687	2.6336	2.5043	3.5001	1.0947	3.8354	1.7858	4.3179		3.7659	1.7803
H10	2.1600	2.6509	3.0705	1.0954	2.7799	1.7858	3.1613	1.7803	3.7659		2.5504
H11	2.1600	2.6509	3.0705	2.7799	1.0954	3.1613	1.7858	3.7659	1.7803	2.5504

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.008	C1	C4	H10	109.289
C1	C5	H7	110.226	C1	C5	H9	110.008
C1	C5	H11	109.289	F2	C1	H3	107.862
F2	C1	C4	107.747	F2	C1	C5	107.747
H3	C1	C4	110.142	H3	C1	C5	110.142
C4	C1	C5	113.013	H7	C5	H9	109.295
H7	C5	H11	109.242	H8	C4	H10	108.755
H9	C5	H11	108.755

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

using model chemistry: MP3=FULL/3-21G

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: MP3=FULL/3-21G

States and conformations

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