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	hartrees
Energy at 0K	-217.852563
Energy at 298.15K	-217.860405
HF Energy	-217.147677
Nuclear repulsion energy	131.485460

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3137	3039	32.96
2	A'	3126	3029	49.02
3	A'	3070	2974	19.61
4	A'	3044	2949	10.74
5	A'	1501	1454	5.36
6	A'	1483	1436	4.44
7	A'	1415	1370	16.20
8	A'	1363	1321	10.82
9	A'	1201	1163	9.39
10	A'	1143	1107	46.25
11	A'	958	928	43.26
12	A'	824	798	18.44
13	A'	474	459	3.44
14	A'	352	341	0.89
15	A'	258	250	0.09
16	A"	3134	3036	19.39
17	A"	3119	3022	0.43
18	A"	3040	2945	13.56
19	A"	1477	1431	0.00
20	A"	1474	1428	0.14
21	A"	1421	1376	24.53
22	A"	1372	1329	0.76
23	A"	1176	1140	10.10
24	A"	942	912	0.02
25	A"	928	899	0.29
26	A"	407	394	7.17
27	A"	213	206	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.286	0.243	0.000
F2	-0.890	1.044	0.000
H3	1.129	0.956	0.000
C4	0.286	-0.586	1.278
C5	0.286	-0.586	-1.278
H6	1.212	-1.186	1.337
H7	1.212	-1.186	-1.337
H8	0.234	0.068	2.163
H9	0.234	0.068	-2.163
H10	-0.580	-1.270	1.289
H11	-0.580	-1.270	-1.289

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4228	1.1046	1.5236	1.5236	2.1645	2.1645	2.1704	2.1704	2.1683	2.1683
F2	1.4228		2.0212	2.3821	2.3821	3.3429	3.3429	2.6255	2.6255	2.6671	2.6671
H3	1.1046	2.0212		2.1737	2.1737	2.5263	2.5263	2.5034	2.5034	3.0890	3.0890
C4	1.5236	2.3821	2.1737		2.5558	1.1042	2.8376	1.1020	3.5028	1.1035	2.7941
C5	1.5236	2.3821	2.1737	2.5558		2.8376	1.1042	3.5028	1.1020	2.7941	1.1035
H6	2.1645	3.3429	2.5263	1.1042	2.8376		2.6735	1.7916	3.8437	1.7944	3.1800
H7	2.1645	3.3429	2.5263	2.8376	1.1042	2.6735		3.8437	1.7916	3.1800	1.7944
H8	2.1704	2.6255	2.5034	1.1020	3.5028	1.7916	3.8437		4.3254	1.7939	3.7907
H9	2.1704	2.6255	2.5034	3.5028	1.1020	3.8437	1.7916	4.3254		3.7907	1.7939
H10	2.1683	2.6671	3.0890	1.1035	2.7941	1.7944	3.1800	1.7939	3.7907		2.5781
H11	2.1683	2.6671	3.0890	2.7941	1.1035	3.1800	1.7944	3.7907	1.7939	2.5781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.483	C1	C4	H10	110.231
C1	C5	H7	109.888	C1	C5	H9	110.483
C1	C5	H11	110.231	F2	C1	H3	105.517
F2	C1	C4	107.852	F2	C1	C5	107.852
H3	C1	C4	110.584	H3	C1	C5	110.584
C4	C1	C5	114.020	H7	C5	H9	108.602
H7	C5	H11	108.738	H8	C4	H10	108.856
H9	C5	H11	108.856

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

using model chemistry: QCISD/aug-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: QCISD/aug-cc-pVDZ

States and conformations

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