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	hartrees
Energy at 0K	-218.008370
Energy at 298.15K	-218.016274
HF Energy	-217.200185
Nuclear repulsion energy	133.128331

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	3172	24.34
2	A'	3166	3166	40.71
3	A'	3091	3091	22.11
4	A'	3082	3082	6.88
5	A'	1536	1536	6.13
6	A'	1516	1516	6.14
7	A'	1441	1441	21.46
8	A'	1408	1408	9.69
9	A'	1219	1219	17.13
10	A'	1193	1193	55.93
11	A'	992	992	38.13
12	A'	847	847	7.48
13	A'	482	482	3.09
14	A'	356	356	0.88
15	A'	262	262	0.10
16	A"	3170	3170	15.70
17	A"	3159	3159	0.00
18	A"	3079	3079	11.57
19	A"	1512	1512	0.04
20	A"	1506	1506	0.02
21	A"	1440	1440	27.77
22	A"	1398	1398	0.77
23	A"	1187	1187	13.22
24	A"	955	955	0.00
25	A"	941	941	0.52
26	A"	418	418	6.80
27	A"	217	217	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.277	0.247	0.000
F2	-0.864	1.038	0.000
H3	1.125	0.934	0.000
C4	0.277	-0.584	1.267
C5	0.277	-0.584	-1.267
H6	1.186	-1.181	1.325
H7	1.186	-1.181	-1.325
H8	0.227	0.060	2.143
H9	0.227	0.060	-2.143
H10	-0.582	-1.254	1.276
H11	-0.582	-1.254	-1.276

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3884	1.0919	1.5144	1.5144	2.1492	2.1492	2.1514	2.1514	2.1488	2.1488
F2	1.3884		1.9915	2.3528	2.3528	3.2987	3.2987	2.5959	2.5959	2.6386	2.6386
H3	1.0919	1.9915		2.1512	2.1512	2.4964	2.4964	2.4824	2.4824	3.0545	3.0545
C4	1.5144	2.3528	2.1512		2.5332	1.0895	2.8103	1.0881	3.4698	1.0895	2.7659
C5	1.5144	2.3528	2.1512	2.5332		2.8103	1.0895	3.4698	1.0881	2.7659	1.0895
H6	2.1492	3.2987	2.4964	1.0895	2.8103		2.6491	1.7687	3.8054	1.7702	3.1452
H7	2.1492	3.2987	2.4964	2.8103	1.0895	2.6491		3.8054	1.7687	3.1452	1.7702
H8	2.1514	2.5959	2.4824	1.0881	3.4698	1.7687	3.8054		4.2854	1.7698	3.7505
H9	2.1514	2.5959	2.4824	3.4698	1.0881	3.8054	1.7687	4.2854		3.7505	1.7698
H10	2.1488	2.6386	3.0545	1.0895	2.7659	1.7702	3.1452	1.7698	3.7505		2.5514
H11	2.1488	2.6386	3.0545	2.7659	1.0895	3.1452	1.7702	3.7505	1.7698	2.5514

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.446	C1	C4	H10	110.148
C1	C5	H7	110.183	C1	C5	H9	110.446
C1	C5	H11	110.148	F2	C1	H3	106.203
F2	C1	C4	108.212	F2	C1	C5	108.212
H3	C1	C4	110.200	H3	C1	C5	110.200
C4	C1	C5	113.512	H7	C5	H9	108.629
H7	C5	H11	108.655	H8	C4	H10	108.732
H9	C5	H11	108.732

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

using model chemistry: MP3/6-311+G(3df,2p)

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: MP3/6-311+G(3df,2p)

States and conformations

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