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	hartrees
Energy at 0K	-218.329981
Energy at 298.15K	-218.337805
HF Energy	-218.329981
Nuclear repulsion energy	132.872133

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3153	3153	27.54
2	A'	3148	3148	44.41
3	A'	3060	3060	7.03
4	A'	3041	3041	40.09
5	A'	1518	1518	6.56
6	A'	1490	1490	3.90
7	A'	1420	1420	19.90
8	A'	1387	1387	12.10
9	A'	1206	1206	14.34
10	A'	1183	1183	54.73
11	A'	977	977	32.55
12	A'	838	838	5.18
13	A'	487	487	2.30
14	A'	356	356	0.94
15	A'	249	249	0.08
16	A"	3151	3151	15.37
17	A"	3141	3141	0.04
18	A"	3057	3057	15.19
19	A"	1490	1490	0.01
20	A"	1481	1481	0.05
21	A"	1420	1420	30.68
22	A"	1379	1379	0.69
23	A"	1170	1170	13.88
24	A"	950	950	0.05
25	A"	929	929	0.51
26	A"	412	412	5.44
27	A"	196	196	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.272	0.246	0.000
F2	-0.854	1.049	0.000
H3	1.141	0.919	0.000
C4	0.272	-0.588	1.269
C5	0.272	-0.588	-1.269
H6	1.183	-1.191	1.325
H7	1.183	-1.191	-1.325
H8	0.228	0.057	2.150
H9	0.228	0.057	-2.150
H10	-0.591	-1.260	1.283
H11	-0.591	-1.260	-1.283

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3835	1.0983	1.5183	1.5183	2.1566	2.1566	2.1588	2.1588	2.1580	2.1580
F2	1.3835		1.9991	2.3577	2.3577	3.3054	3.3054	2.6036	2.6036	2.6543	2.6543
H3	1.0983	1.9991		2.1524	2.1524	2.4917	2.4917	2.4896	2.4896	3.0639	3.0639
C4	1.5183	2.3577	2.1524		2.5379	1.0938	2.8148	1.0926	3.4795	1.0941	2.7761
C5	1.5183	2.3577	2.1524	2.5379		2.8148	1.0938	3.4795	1.0926	2.7761	1.0941
H6	2.1566	3.3054	2.4917	1.0938	2.8148		2.6506	1.7748	3.8141	1.7758	3.1547
H7	2.1566	3.3054	2.4917	2.8148	1.0938	2.6506		3.8141	1.7748	3.1547	1.7758
H8	2.1588	2.6036	2.4896	1.0926	3.4795	1.7748	3.8141		4.3001	1.7766	3.7665
H9	2.1588	2.6036	2.4896	3.4795	1.0926	3.8141	1.7748	4.3001		3.7665	1.7766
H10	2.1580	2.6543	3.0639	1.0941	2.7761	1.7758	3.1547	1.7766	3.7665		2.5651
H11	2.1580	2.6543	3.0639	2.7761	1.0941	3.1547	1.7758	3.7665	1.7766	2.5651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.493	C1	C4	H10	110.339
C1	C5	H7	110.242	C1	C5	H9	110.493
C1	C5	H11	110.339	F2	C1	H3	106.749
F2	C1	C4	108.592	F2	C1	C5	108.592
H3	C1	C4	109.644	H3	C1	C5	109.644
C4	C1	C5	113.393	H7	C5	H9	108.526
H7	C5	H11	108.509	H8	C4	H10	108.675
H9	C5	H11	108.675

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

using model chemistry: wB97X-D/6-31G(2df,p)

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	0.141
2	F	-0.191
3	H	0.100
4	C	-0.454
5	C	-0.454
6	H	0.136
7	H	0.136
8	H	0.149
9	H	0.149
10	H	0.144
11	H	0.144

	x	y	z	Total
	1.274	-1.052	0.000	1.653
CHELPG
AIM
ESP

	x	y	z
x	4.983	-0.032	0.000
y	-0.032	5.069	0.000
z	0.000	0.000	5.586

<r²>	85.176
(<r²>)^1/2	9.229

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

using model chemistry: wB97X-D/6-31G(2df,p)

States and conformations

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