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	hartrees
Energy at 0K	-217.087160
Energy at 298.15K	-217.095098
HF Energy	-217.087160
Nuclear repulsion energy	131.806638

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	3021	26.06
2	A'	3183	3015	13.50
3	A'	3108	2944	3.08
4	A'	3072	2910	25.95
5	A'	1587	1503	12.15
6	A'	1560	1477	8.11
7	A'	1485	1406	16.53
8	A'	1415	1341	22.05
9	A'	1249	1183	17.02
10	A'	1211	1147	31.86
11	A'	1006	953	17.93
12	A'	846	801	2.05
13	A'	476	451	2.36
14	A'	357	338	1.83
15	A'	284	269	0.16
16	A"	3182	3014	5.14
17	A"	3181	3013	4.01
18	A"	3106	2942	7.55
19	A"	1561	1479	0.79
20	A"	1546	1465	0.68
21	A"	1468	1391	23.28
22	A"	1425	1349	14.68
23	A"	1183	1121	18.08
24	A"	1000	947	1.64
25	A"	974	923	0.16
26	A"	375	355	6.70
27	A"	248	235	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.290	0.258	0.000
F2	-0.898	1.044	0.000
H3	1.148	0.938	0.000
C4	0.290	-0.591	1.268
C5	0.290	-0.591	-1.268
H6	1.193	-1.206	1.312
H7	1.193	-1.206	-1.312
H8	0.249	0.050	2.152
H9	0.249	0.050	-2.152
H10	-0.589	-1.242	1.265
H11	-0.589	-1.242	-1.265

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4247	1.0946	1.5255	1.5255	2.1630	2.1630	2.1630	2.1630	2.1502	2.1502
F2	1.4247		2.0492	2.3854	2.3854	3.3396	3.3396	2.6339	2.6339	2.6306	2.6306
H3	1.0946	2.0492		2.1632	2.1632	2.5138	2.5138	2.4963	2.4963	3.0609	3.0609
C4	1.5255	2.3854	2.1632		2.5351	1.0930	2.8010	1.0929	3.4797	1.0938	2.7591
C5	1.5255	2.3854	2.1632	2.5351		2.8010	1.0930	3.4797	1.0929	2.7591	1.0938
H6	2.1630	3.3396	2.5138	1.0930	2.8010		2.6235	1.7815	3.8036	1.7823	3.1330
H7	2.1630	3.3396	2.5138	2.8010	1.0930	2.6235		3.8036	1.7815	3.1330	1.7823
H8	2.1630	2.6339	2.4963	1.0929	3.4797	1.7815	3.8036		4.3049	1.7763	3.7484
H9	2.1630	2.6339	2.4963	3.4797	1.0929	3.8036	1.7815	4.3049		3.7484	1.7763
H10	2.1502	2.6306	3.0609	1.0938	2.7591	1.7823	3.1330	1.7763	3.7484		2.5308
H11	2.1502	2.6306	3.0609	2.7591	1.0938	3.1330	1.7823	3.7484	1.7763	2.5308

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.298	C1	C4	H10	109.240
C1	C5	H7	110.291	C1	C5	H9	110.298
C1	C5	H11	109.240	F2	C1	H3	108.144
F2	C1	C4	107.865	F2	C1	C5	107.865
H3	C1	C4	110.217	H3	C1	C5	110.217
C4	C1	C5	112.386	H7	C5	H9	109.168
H7	C5	H11	109.170	H8	C4	H10	108.642
H9	C5	H11	108.642

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

using model chemistry: M06-2X/3-21G*

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	0.066
2	F	-0.326
3	H	0.199
4	C	-0.593
5	C	-0.593
6	H	0.195
7	H	0.195
8	H	0.216
9	H	0.216
10	H	0.211
11	H	0.211

	x	y	z	Total
	1.512	-1.169	0.000	1.911
CHELPG
AIM
ESP

	x	y	z
x	4.408	-0.051	0.000
y	-0.051	4.352	0.000
z	0.000	0.000	4.782

<r²>	86.200
(<r²>)^1/2	9.284

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

using model chemistry: M06-2X/3-21G*

States and conformations

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