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	hartrees
Energy at 0K	-217.896866
Energy at 298.15K	-217.904792
HF Energy	-217.203031
Nuclear repulsion energy	132.923460

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3188	2981	31.15
2	A'	3181	2975	49.39
3	A'	3113	2912	24.67
4	A'	3098	2897	8.47
5	A'	1539	1439	5.43
6	A'	1524	1425	4.97
7	A'	1461	1367	23.91
8	A'	1428	1336	11.80
9	A'	1234	1154	12.17
10	A'	1201	1123	51.03
11	A'	998	933	43.65
12	A'	849	794	8.98
13	A'	489	457	3.68
14	A'	360	336	0.52
15	A'	269	251	0.11
16	A"	3185	2979	18.34
17	A"	3173	2968	0.03
18	A"	3094	2893	12.69
19	A"	1514	1416	0.05
20	A"	1512	1414	0.02
21	A"	1456	1362	26.31
22	A"	1410	1319	2.39
23	A"	1194	1117	13.39
24	A"	967	904	0.01
25	A"	956	894	0.11
26	A"	422	395	7.45
27	A"	207	194	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.277	0.244	0.000
F2	-0.865	1.044	0.000
H3	1.128	0.928	0.000
C4	0.277	-0.586	1.267
C5	0.277	-0.586	-1.267
H6	1.185	-1.187	1.319
H7	1.185	-1.187	-1.319
H8	0.235	0.058	2.144
H9	0.235	0.058	-2.144
H10	-0.585	-1.252	1.280
H11	-0.585	-1.252	-1.280

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3946	1.0919	1.5145	1.5145	2.1474	2.1474	2.1523	2.1523	2.1495	2.1495
F2	1.3946		1.9970	2.3593	2.3593	3.3046	3.3046	2.6034	2.6034	2.6439	2.6439
H3	1.0919	1.9970		2.1495	2.1495	2.4926	2.4926	2.4800	2.4800	3.0540	3.0540
C4	1.5145	2.3593	2.1495		2.5342	1.0903	2.8059	1.0888	3.4716	1.0902	2.7702
C5	1.5145	2.3593	2.1495	2.5342		2.8059	1.0903	3.4716	1.0888	2.7702	1.0902
H6	2.1474	3.3046	2.4926	1.0903	2.8059		2.6377	1.7706	3.8006	1.7722	3.1450
H7	2.1474	3.3046	2.4926	2.8059	1.0903	2.6377		3.8006	1.7706	3.1450	1.7722
H8	2.1523	2.6034	2.4800	1.0888	3.4716	1.7706	3.8006		4.2878	1.7714	3.7565
H9	2.1523	2.6034	2.4800	3.4716	1.0888	3.8006	1.7706	4.2878		3.7565	1.7714
H10	2.1495	2.6439	3.0540	1.0902	2.7702	1.7722	3.1450	1.7714	3.7565		2.5592
H11	2.1495	2.6439	3.0540	2.7702	1.0902	3.1450	1.7722	3.7565	1.7714	2.5592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.468	C1	C4	H10	110.159
C1	C5	H7	109.979	C1	C5	H9	110.468
C1	C5	H11	110.159	F2	C1	H3	106.221
F2	C1	C4	108.319	F2	C1	C5	108.319
H3	C1	C4	110.057	H3	C1	C5	110.057
C4	C1	C5	113.573	H7	C5	H9	108.689
H7	C5	H11	108.729	H8	C4	H10	108.772
H9	C5	H11	108.772

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

using model chemistry: MP3/TZVP

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/TZVP

States and conformations

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