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	hartrees
Energy at 0K	-218.357639
Energy at 298.15K	-218.365353
HF Energy	-218.357639
Nuclear repulsion energy	131.047098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3033	3021	42.96
2	A'	3025	3013	55.44
3	A'	2962	2950	11.28
4	A'	2944	2932	31.86
5	A'	1475	1469	7.46
6	A'	1454	1448	6.34
7	A'	1380	1375	11.98
8	A'	1330	1324	11.41
9	A'	1162	1158	7.69
10	A'	1106	1101	35.53
11	A'	889	885	50.00
12	A'	785	782	15.47
13	A'	462	460	2.96
14	A'	343	341	1.03
15	A'	246	245	0.15
16	A"	3030	3019	20.86
17	A"	3017	3005	0.60
18	A"	2957	2945	15.94
19	A"	1453	1447	0.01
20	A"	1443	1437	0.26
21	A"	1367	1361	23.64
22	A"	1336	1331	7.83
23	A"	1119	1115	16.50
24	A"	919	916	0.51
25	A"	903	899	0.02
26	A"	392	390	7.14
27	A"	210	209	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.288	0.238	0.000
F2	-0.894	1.049	0.000
H3	1.133	0.947	0.000
C4	0.288	-0.587	1.286
C5	0.288	-0.587	-1.286
H6	1.211	-1.182	1.366
H7	1.211	-1.182	-1.366
H8	0.225	0.072	2.162
H9	0.225	0.072	-2.162
H10	-0.572	-1.272	1.303
H11	-0.572	-1.272	-1.303

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4336	1.1027	1.5285	1.5285	2.1755	2.1755	2.1697	2.1697	2.1723	2.1723
F2	1.4336		2.0300	2.3937	2.3937	3.3573	3.3573	2.6234	2.6234	2.6812	2.6812
H3	1.1027	2.0300		2.1730	2.1730	2.5302	2.5302	2.5032	2.5032	3.0868	3.0868
C4	1.5285	2.3937	2.1730		2.5729	1.1004	2.8703	1.0983	3.5119	1.0995	2.8133
C5	1.5285	2.3937	2.1730	2.5729		2.8703	1.1004	3.5119	1.0983	2.8133	1.0995
H6	2.1755	3.3573	2.5302	1.1004	2.8703		2.7315	1.7831	3.8720	1.7858	3.2106
H7	2.1755	3.3573	2.5302	2.8703	1.1004	2.7315		3.8720	1.7831	3.2106	1.7858
H8	2.1697	2.6234	2.5032	1.0983	3.5119	1.7831	3.8720		4.3249	1.7834	3.8016
H9	2.1697	2.6234	2.5032	3.5119	1.0983	3.8720	1.7831	4.3249		3.8016	1.7834
H10	2.1723	2.6812	3.0868	1.0995	2.8133	1.7858	3.2106	1.7834	3.8016		2.6062
H11	2.1723	2.6812	3.0868	2.8133	1.0995	3.2106	1.7858	3.8016	1.7834	2.6062

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.304	C1	C4	H10	110.437
C1	C5	H7	110.639	C1	C5	H9	110.304
C1	C5	H11	110.437	F2	C1	H3	105.591
F2	C1	C4	107.777	F2	C1	C5	107.777
H3	C1	C4	110.304	H3	C1	C5	110.304
C4	C1	C5	114.627	H7	C5	H9	108.380
H7	C5	H11	108.538	H8	C4	H10	108.474
H9	C5	H11	108.474

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

using model chemistry: BLYP/6-311G**

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	0.115
2	F	-0.281
3	H	0.095
4	C	-0.283
5	C	-0.283
6	H	0.097
7	H	0.097
8	H	0.114
9	H	0.114
10	H	0.106
11	H	0.106

	x	y	z	Total
	1.465	-1.123	0.000	1.846
CHELPG
AIM
ESP

	x	y	z
x	5.336	-0.052	0.000
y	-0.052	5.443	0.000
z	0.000	0.000	6.163

<r²>	87.629
(<r²>)^1/2	9.361

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

using model chemistry: BLYP/6-311G**

States and conformations

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