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	hartrees
Energy at 0K	-218.377836
Energy at 298.15K	-218.385533
HF Energy	-218.377836
Nuclear repulsion energy	131.206972

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3030	3014	34.90
2	A'	3021	3004	42.76
3	A'	2960	2944	10.42
4	A'	2944	2928	23.47
5	A'	1475	1467	8.13
6	A'	1457	1449	6.27
7	A'	1380	1373	10.67
8	A'	1318	1310	10.51
9	A'	1162	1156	7.26
10	A'	1098	1092	39.28
11	A'	880	875	56.90
12	A'	780	775	22.04
13	A'	463	460	2.99
14	A'	345	343	1.26
15	A'	241	240	0.06
16	A"	3028	3011	17.84
17	A"	3013	2997	0.98
18	A"	2955	2938	14.17
19	A"	1453	1445	0.00
20	A"	1446	1438	0.48
21	A"	1366	1358	17.26
22	A"	1339	1332	8.49
23	A"	1118	1112	18.19
24	A"	919	914	0.46
25	A"	902	897	0.00
26	A"	393	391	6.26
27	A"	204	203	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.287	0.235	0.000
F2	-0.892	1.054	0.000
H3	1.126	0.945	0.000
C4	0.287	-0.588	1.284
C5	0.287	-0.588	-1.284
H6	1.209	-1.179	1.355
H7	1.209	-1.179	-1.355
H8	0.230	0.066	2.161
H9	0.230	0.066	-2.161
H10	-0.568	-1.276	1.303
H11	-0.568	-1.276	-1.303

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4347	1.0999	1.5249	1.5249	2.1648	2.1648	2.1682	2.1682	2.1701	2.1701
F2	1.4347		2.0210	2.3940	2.3940	3.3516	3.3516	2.6273	2.6273	2.6883	2.6883
H3	1.0999	2.0210		2.1690	2.1690	2.5213	2.5213	2.4995	2.4995	3.0823	3.0823
C4	1.5249	2.3940	2.1690		2.5670	1.0977	2.8565	1.0956	3.5063	1.0969	2.8090
C5	1.5249	2.3940	2.1690	2.5670		2.8565	1.0977	3.5063	1.0956	2.8090	1.0969
H6	2.1648	3.3516	2.5213	1.0977	2.8565		2.7093	1.7773	3.8558	1.7800	3.1979
H7	2.1648	3.3516	2.5213	2.8565	1.0977	2.7093		3.8558	1.7773	3.1979	1.7800
H8	2.1682	2.6273	2.4995	1.0956	3.5063	1.7773	3.8558		4.3217	1.7810	3.7987
H9	2.1682	2.6273	2.4995	3.5063	1.0956	3.8558	1.7773	4.3217		3.7987	1.7810
H10	2.1701	2.6883	3.0823	1.0969	2.8090	1.7800	3.1979	1.7810	3.7987		2.6050
H11	2.1701	2.6883	3.0823	2.8090	1.0969	3.1979	1.7800	3.7987	1.7810	2.6050

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.598	C1	C4	H10	110.670
C1	C5	H7	110.202	C1	C5	H9	110.598
C1	C5	H11	110.670	F2	C1	H3	104.987
F2	C1	C4	107.939	F2	C1	C5	107.939
H3	C1	C4	110.410	H3	C1	C5	110.410
C4	C1	C5	114.643	H7	C5	H9	108.254
H7	C5	H11	108.407	H8	C4	H10	108.638
H9	C5	H11	108.638

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

using model chemistry: BLYP/6-311+G(3df,2p)

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	0.293
2	F	-0.459
3	H	0.148
4	C	-0.447
5	C	-0.447
6	H	0.156
7	H	0.156
8	H	0.145
9	H	0.145
10	H	0.156
11	H	0.156

	x	y	z
x	5.996	-0.182	0.000
y	-0.182	6.177	0.000
z	0.000	0.000	6.882

<r²>	87.651
(<r²>)^1/2	9.362

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

using model chemistry: BLYP/6-311+G(3df,2p)

States and conformations

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