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	hartrees
Energy at 0K	-217.262569
Energy at 298.15K	-217.270338
HF Energy	-217.262569
Nuclear repulsion energy	133.313282

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3094	3036	14.21
2	A'	3085	3027	28.70
3	A'	2998	2941	7.04
4	A'	2949	2894	39.26
5	A'	1473	1446	6.87
6	A'	1451	1423	9.30
7	A'	1374	1349	33.01
8	A'	1345	1320	13.12
9	A'	1177	1155	26.47
10	A'	1157	1135	47.09
11	A'	965	947	18.98
12	A'	845	829	4.98
13	A'	464	455	2.18
14	A'	340	333	1.21
15	A'	266	261	0.03
16	A"	3093	3035	9.43
17	A"	3080	3022	0.65
18	A"	2995	2939	8.39
19	A"	1443	1416	0.01
20	A"	1437	1411	0.06
21	A"	1378	1352	50.23
22	A"	1328	1303	0.08
23	A"	1161	1139	8.37
24	A"	921	904	0.20
25	A"	899	882	2.24
26	A"	395	388	5.64
27	A"	223	219	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.277	0.247	0.000
F2	-0.864	1.032	0.000
H3	1.149	0.935	0.000
C4	0.277	-0.579	1.254
C5	0.277	-0.579	-1.254
H6	1.194	-1.189	1.326
H7	1.194	-1.189	-1.326
H8	0.217	0.067	2.146
H9	0.217	0.067	-2.146
H10	-0.593	-1.258	1.256
H11	-0.593	-1.258	-1.256

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3853	1.1108	1.5018	1.5018	2.1586	2.1586	2.1540	2.1540	2.1447	2.1447
F2	1.3853		2.0153	2.3392	2.3392	3.3054	3.3054	2.5891	2.5891	2.6261	2.6261
H3	1.1108	2.0153		2.1509	2.1509	2.5046	2.5046	2.4955	2.4955	3.0698	3.0698
C4	1.5018	2.3392	2.1509		2.5088	1.1031	2.8054	1.1022	3.4613	1.1042	2.7423
C5	1.5018	2.3392	2.1509	2.5088		2.8054	1.1031	3.4613	1.1022	2.7423	1.1042
H6	2.1586	3.3054	2.5046	1.1031	2.8054		2.6520	1.7897	3.8188	1.7896	3.1406
H7	2.1586	3.3054	2.5046	2.8054	1.1031	2.6520		3.8188	1.7897	3.1406	1.7896
H8	2.1540	2.5891	2.4955	1.1022	3.4613	1.7897	3.8188		4.2912	1.7897	3.7391
H9	2.1540	2.5891	2.4955	3.4613	1.1022	3.8188	1.7897	4.2912		3.7391	1.7897
H10	2.1447	2.6261	3.0698	1.1042	2.7423	1.7896	3.1406	1.7897	3.7391		2.5116
H11	2.1447	2.6261	3.0698	2.7423	1.1042	3.1406	1.7896	3.7391	1.7897	2.5116

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.685	C1	C4	H10	109.832
C1	C5	H7	110.999	C1	C5	H9	110.685
C1	C5	H11	109.832	F2	C1	H3	107.165
F2	C1	C4	108.167	F2	C1	C5	108.167
H3	C1	C4	109.922	H3	C1	C5	109.922
C4	C1	C5	113.283	H7	C5	H9	108.491
H7	C5	H11	108.342	H8	C4	H10	108.415
H9	C5	H11	108.415

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

using model chemistry: LSDA/6-31G*

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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Number	Element	Mulliken
1	C	0.143
2	F	-0.269
3	H	0.145
4	C	-0.555
5	C	-0.555
6	H	0.173
7	H	0.173
8	H	0.190
9	H	0.190
10	H	0.182
11	H	0.182

	x	y	z	Total
	1.206	-1.001	0.000	1.567
CHELPG
AIM
ESP

	x	y	z
x	4.943	0.006	0.000
y	0.006	4.983	0.000
z	0.000	0.000	5.511

<r²>	84.477
(<r²>)^1/2	9.191

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

using model chemistry: LSDA/6-31G*

States and conformations

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