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	hartrees
Energy at 0K	-218.168484
Energy at 298.15K	-218.176334
HF Energy	-217.963559
Nuclear repulsion energy	132.224474

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	3030	26.34
2	A'	3157	3026	44.63
3	A'	3069	2942	4.97
4	A'	3061	2934	40.77
5	A'	1501	1439	4.68
6	A'	1479	1417	5.76
7	A'	1413	1355	17.45
8	A'	1374	1317	13.20
9	A'	1203	1153	11.74
10	A'	1156	1108	47.28
11	A'	965	925	38.46
12	A'	834	799	11.88
13	A'	477	457	2.80
14	A'	351	336	0.83
15	A'	262	252	0.16
16	A"	3160	3029	15.32
17	A"	3150	3019	0.00
18	A"	3065	2938	14.86
19	A"	1476	1415	0.06
20	A"	1470	1409	0.29
21	A"	1415	1356	30.17
22	A"	1371	1314	2.41
23	A"	1174	1126	12.98
24	A"	943	904	0.00
25	A"	931	893	0.37
26	A"	405	388	7.02
27	A"	217	208	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.281	0.242	0.000
F2	-0.874	1.043	0.000
H3	1.139	0.936	0.000
C4	0.281	-0.585	1.272
C5	0.281	-0.585	-1.272
H6	1.197	-1.190	1.339
H7	1.197	-1.190	-1.339
H8	0.228	0.069	2.154
H9	0.228	0.069	-2.154
H10	-0.588	-1.261	1.287
H11	-0.588	-1.261	-1.287

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4057	1.1038	1.5167	1.5167	2.1640	2.1640	2.1613	2.1613	2.1606	2.1606
F2	1.4057		2.0162	2.3666	2.3666	3.3273	3.3273	2.6083	2.6083	2.6546	2.6546
H3	1.1038	2.0162		2.1601	2.1601	2.5129	2.5129	2.4939	2.4939	3.0762	3.0762
C4	1.5167	2.3666	2.1601		2.5433	1.1005	2.8322	1.0992	3.4877	1.1006	2.7851
C5	1.5167	2.3666	2.1601	2.5433		2.8322	1.1005	3.4877	1.0992	2.7851	1.1006
H6	2.1640	3.3273	2.5129	1.1005	2.8322		2.6777	1.7855	3.8370	1.7871	3.1758
H7	2.1640	3.3273	2.5129	2.8322	1.1005	2.6777		3.8370	1.7855	3.1758	1.7871
H8	2.1613	2.6083	2.4939	1.0992	3.4877	1.7855	3.8370		4.3076	1.7849	3.7779
H9	2.1613	2.6083	2.4939	3.4877	1.0992	3.8370	1.7855	4.3076		3.7779	1.7849
H10	2.1606	2.6546	3.0762	1.1006	2.7851	1.7871	3.1758	1.7849	3.7779		2.5737
H11	2.1606	2.6546	3.0762	2.7851	1.1006	3.1758	1.7871	3.7779	1.7849	2.5737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.412	C1	C4	H10	110.265
C1	C5	H7	110.545	C1	C5	H9	110.412
C1	C5	H11	110.265	F2	C1	H3	106.291
F2	C1	C4	108.101	F2	C1	C5	108.101
H3	C1	C4	110.036	H3	C1	C5	110.036
C4	C1	C5	113.954	H7	C5	H9	108.526
H7	C5	H11	108.569	H8	C4	H10	108.463
H9	C5	H11	108.463

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/cc-pVDZ

States and conformations

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