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	hartrees
Energy at 0K	-217.271027
Energy at 298.15K	-217.278792
HF Energy	-217.271027
Nuclear repulsion energy	133.356017

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3096	3038	12.70
2	A'	3086	3029	26.40
3	A'	2995	2939	6.82
4	A'	2945	2890	38.06
5	A'	1457	1429	5.81
6	A'	1433	1406	8.56
7	A'	1359	1334	34.20
8	A'	1334	1309	9.84
9	A'	1169	1147	33.44
10	A'	1150	1129	41.54
11	A'	959	941	17.44
12	A'	841	826	4.76
13	A'	463	454	2.18
14	A'	339	333	1.24
15	A'	264	259	0.03
16	A"	3095	3037	8.90
17	A"	3082	3024	0.48
18	A"	2993	2937	7.88
19	A"	1426	1399	0.12
20	A"	1421	1394	0.32
21	A"	1366	1340	48.71
22	A"	1313	1288	0.00
23	A"	1153	1132	8.09
24	A"	913	896	0.24
25	A"	890	874	2.27
26	A"	395	387	5.68
27	A"	222	218	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.277	0.247	0.000
F2	-0.864	1.033	0.000
H3	1.150	0.933	0.000
C4	0.277	-0.579	1.254
C5	0.277	-0.579	-1.254
H6	1.192	-1.189	1.325
H7	1.192	-1.189	-1.325
H8	0.217	0.066	2.145
H9	0.217	0.066	-2.145
H10	-0.593	-1.258	1.255
H11	-0.593	-1.258	-1.255

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3854	1.1108	1.5013	1.5013	2.1571	2.1571	2.1532	2.1532	2.1433	2.1433
F2	1.3854		2.0164	2.3391	2.3391	3.3042	3.3042	2.5890	2.5890	2.6257	2.6257
H3	1.1108	2.0164		2.1497	2.1497	2.5019	2.5019	2.4947	2.4947	3.0679	3.0679
C4	1.5013	2.3391	2.1497		2.5079	1.1021	2.8037	1.1011	3.4598	1.1032	2.7407
C5	1.5013	2.3391	2.1497	2.5079		2.8037	1.1021	3.4598	1.1011	2.7407	1.1032
H6	2.1571	3.3042	2.5019	1.1021	2.8037		2.6501	1.7878	3.8162	1.7877	3.1380
H7	2.1571	3.3042	2.5019	2.8037	1.1021	2.6501		3.8162	1.7878	3.1380	1.7877
H8	2.1532	2.5890	2.4947	1.1011	3.4598	1.7878	3.8162		4.2894	1.7884	3.7368
H9	2.1532	2.5890	2.4947	3.4598	1.1011	3.8162	1.7878	4.2894		3.7368	1.7884
H10	2.1433	2.6257	3.0679	1.1032	2.7407	1.7877	3.1380	1.7884	3.7368		2.5098
H11	2.1433	2.6257	3.0679	2.7407	1.1032	3.1380	1.7877	3.7368	1.7884	2.5098

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.724	C1	C4	H10	109.817
C1	C5	H7	110.980	C1	C5	H9	110.724
C1	C5	H11	109.817	F2	C1	H3	107.247
F2	C1	C4	108.182	F2	C1	C5	108.182
H3	C1	C4	109.868	H3	C1	C5	109.868
C4	C1	C5	113.287	H7	C5	H9	108.475
H7	C5	H11	108.319	H8	C4	H10	108.450
H9	C5	H11	108.450

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	0.157
2	F	-0.271
3	H	0.113
4	C	-0.439
5	C	-0.439
6	H	0.138
7	H	0.138
8	H	0.154
9	H	0.154
10	H	0.148
11	H	0.148

	x	y	z	Total
	1.200	-1.009	0.000	1.568
CHELPG
AIM
ESP

	x	y	z
x	5.000	0.007	0.000
y	0.007	5.047	0.000
z	0.000	0.000	5.594

<r²>	84.429
(<r²>)^1/2	9.189

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)