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	hartrees
Energy at 0K	-218.339472
Energy at 298.15K	-218.347252
HF Energy	-218.339472
Nuclear repulsion energy	130.926246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3151	3032	46.00
2	A'	3138	3019	55.17
3	A'	3067	2951	25.76
4	A'	3057	2941	17.51
5	A'	1563	1503	10.86
6	A'	1545	1487	6.34
7	A'	1471	1416	10.21
8	A'	1377	1325	16.53
9	A'	1234	1187	11.81
10	A'	1161	1117	26.83
11	A'	936	901	30.09
12	A'	813	783	14.97
13	A'	461	443	3.24
14	A'	341	328	1.42
15	A'	250	240	0.11
16	A"	3147	3028	19.81
17	A"	3132	3013	1.67
18	A"	3053	2937	17.66
19	A"	1542	1484	0.17
20	A"	1533	1475	0.91
21	A"	1456	1400	14.26
22	A"	1413	1359	15.74
23	A"	1186	1141	16.95
24	A"	979	942	0.58
25	A"	961	924	0.53
26	A"	377	363	8.42
27	A"	215	207	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.301	0.239	0.000
F2	-0.926	1.035	0.000
H3	1.120	0.967	0.000
C4	0.301	-0.582	1.281
C5	0.301	-0.582	-1.281
H6	1.224	-1.167	1.361
H7	1.224	-1.167	-1.361
H8	0.225	0.072	2.154
H9	0.225	0.072	-2.154
H10	-0.550	-1.271	1.288
H11	-0.550	-1.271	-1.288

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4619	1.0956	1.5216	1.5216	2.1636	2.1636	2.1619	2.1619	2.1595	2.1595
F2	1.4619		2.0469	2.4000	2.4000	3.3646	3.3646	2.6256	2.6256	2.6681	2.6681
H3	1.0956	2.0469		2.1705	2.1705	2.5326	2.5326	2.4983	2.4983	3.0749	3.0749
C4	1.5216	2.4000	2.1705		2.5615	1.0956	2.8587	1.0935	3.4973	1.0946	2.7918
C5	1.5216	2.4000	2.1705	2.5615		2.8587	1.0956	3.4973	1.0935	2.7918	1.0946
H6	2.1636	3.3646	2.5326	1.0956	2.8587		2.7218	1.7773	3.8581	1.7782	3.1892
H7	2.1636	3.3646	2.5326	2.8587	1.0956	2.7218		3.8581	1.7773	3.1892	1.7782
H8	2.1619	2.6256	2.4983	1.0935	3.4973	1.7773	3.8581		4.3081	1.7762	3.7748
H9	2.1619	2.6256	2.4983	3.4973	1.0935	3.8581	1.7773	4.3081		3.7748	1.7762
H10	2.1595	2.6681	3.0749	1.0946	2.7918	1.7782	3.1892	1.7762	3.7748		2.5751
H11	2.1595	2.6681	3.0749	2.7918	1.0946	3.1892	1.7782	3.7748	1.7762	2.5751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.451	C1	C4	H10	110.195
C1	C5	H7	110.464	C1	C5	H9	110.451
C1	C5	H11	110.195	F2	C1	H3	105.430
F2	C1	C4	107.090	F2	C1	C5	107.090
H3	C1	C4	111.006	H3	C1	C5	111.006
C4	C1	C5	114.639	H7	C5	H9	108.569
H7	C5	H11	108.563	H8	C4	H10	108.542
H9	C5	H11	108.542

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

using model chemistry: TPSSh/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	0.149
2	F	-0.360
3	H	0.156
4	C	-0.460
5	C	-0.460
6	H	0.150
7	H	0.150
8	H	0.172
9	H	0.172
10	H	0.167
11	H	0.167

	x	y	z	Total
	1.773	-1.340	0.000	2.222
CHELPG
AIM
ESP

	x	y	z
x	4.794	-0.135	0.000
y	-0.135	4.774	0.000
z	0.000	0.000	5.164

<r²>	87.150
(<r²>)^1/2	9.335

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

using model chemistry: TPSSh/6-31G

States and conformations

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