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	hartrees
Energy at 0K	-218.385453
Energy at 298.15K	-218.393155
HF Energy	-218.385453
Nuclear repulsion energy	131.151819

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3034	3023	35.30
2	A'	3023	3013	42.45
3	A'	2964	2954	10.94
4	A'	2951	2941	23.16
5	A'	1472	1467	7.47
6	A'	1455	1450	5.74
7	A'	1380	1375	10.51
8	A'	1314	1309	10.95
9	A'	1164	1160	7.32
10	A'	1097	1093	37.73
11	A'	879	876	56.30
12	A'	778	775	24.78
13	A'	462	461	3.06
14	A'	345	343	1.26
15	A'	241	240	0.05
16	A"	3031	3021	17.63
17	A"	3016	3006	1.09
18	A"	2959	2949	14.03
19	A"	1451	1446	0.00
20	A"	1444	1439	0.33
21	A"	1366	1361	18.10
22	A"	1342	1338	7.55
23	A"	1119	1115	17.39
24	A"	920	917	0.46
25	A"	904	901	0.01
26	A"	393	392	6.25
27	A"	204	203	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.288	0.234	0.000
F2	-0.895	1.053	0.000
H3	1.125	0.946	0.000
C4	0.288	-0.588	1.283
C5	0.288	-0.588	-1.283
H6	1.210	-1.179	1.354
H7	1.210	-1.179	-1.354
H8	0.231	0.067	2.160
H9	0.231	0.067	-2.160
H10	-0.567	-1.275	1.302
H11	-0.567	-1.275	-1.302

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4389	1.0993	1.5241	1.5241	2.1637	2.1637	2.1670	2.1670	2.1687	2.1687
F2	1.4389		2.0235	2.3957	2.3957	3.3538	3.3538	2.6278	2.6278	2.6874	2.6874
H3	1.0993	2.0235		2.1684	2.1684	2.5214	2.5214	2.4975	2.4975	3.0810	3.0810
C4	1.5241	2.3957	2.1684		2.5668	1.0977	2.8561	1.0956	3.5055	1.0968	2.8085
C5	1.5241	2.3957	2.1684	2.5668		2.8561	1.0977	3.5055	1.0956	2.8085	1.0968
H6	2.1637	3.3538	2.5214	1.0977	2.8561		2.7086	1.7777	3.8549	1.7803	3.1974
H7	2.1637	3.3538	2.5214	2.8561	1.0977	2.7086		3.8549	1.7777	3.1974	1.7803
H8	2.1670	2.6278	2.4975	1.0956	3.5055	1.7777	3.8549		4.3197	1.7815	3.7977
H9	2.1670	2.6278	2.4975	3.5055	1.0956	3.8549	1.7777	4.3197		3.7977	1.7815
H10	2.1687	2.6874	3.0810	1.0968	2.8085	1.7803	3.1974	1.7815	3.7977		2.6042
H11	2.1687	2.6874	3.0810	2.8085	1.0968	3.1974	1.7803	3.7977	1.7815	2.6042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.561	C1	C4	H10	110.619
C1	C5	H7	110.170	C1	C5	H9	110.561
C1	C5	H11	110.619	F2	C1	H3	104.943
F2	C1	C4	107.875	F2	C1	C5	107.875
H3	C1	C4	110.446	H3	C1	C5	110.446
C4	C1	C5	114.724	H7	C5	H9	108.293
H7	C5	H11	108.440	H8	C4	H10	108.690
H9	C5	H11	108.690

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

using model chemistry: BLYP/aug-cc-pVTZ

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	0.688
2	F	-0.521
3	H	0.197
4	C	-0.704
5	C	-0.704
6	H	0.189
7	H	0.189
8	H	0.145
9	H	0.145
10	H	0.189
11	H	0.189

	x	y	z	Total
	1.621	-1.287	0.000	2.069
CHELPG
AIM
ESP

	x	y	z
x	6.157	-0.176	0.000
y	-0.176	6.323	0.000
z	0.000	0.000	7.031

<r²>	87.697
(<r²>)^1/2	9.365

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

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

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