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	hartrees
Energy at 0K	-218.466486
Energy at 298.15K	-218.474245
HF Energy	-218.466486
Nuclear repulsion energy	132.352618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3109	3109	37.73
2	A'	3100	3100	48.73
3	A'	3030	3030	9.42
4	A'	3025	3025	24.59
5	A'	1518	1518	6.99
6	A'	1500	1500	6.17
7	A'	1419	1419	12.38
8	A'	1362	1362	10.94
9	A'	1197	1197	8.16
10	A'	1140	1140	48.08
11	A'	935	935	55.27
12	A'	815	815	14.08
13	A'	461	461	2.89
14	A'	337	337	0.95
15	A'	244	244	0.06
16	A"	3107	3107	19.62
17	A"	3093	3093	0.88
18	A"	3026	3026	15.50
19	A"	1496	1496	0.01
20	A"	1489	1489	0.22
21	A"	1409	1409	20.89
22	A"	1376	1376	4.89
23	A"	1157	1157	15.85
24	A"	935	935	0.13
25	A"	923	923	0.28
26	A"	395	395	6.48
27	A"	208	208	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.283	0.240	0.000
F2	-0.880	1.041	0.000
H3	1.121	0.944	0.000
C4	0.283	-0.584	1.273
C5	0.283	-0.584	-1.273
H6	1.201	-1.173	1.340
H7	1.201	-1.173	-1.340
H8	0.225	0.065	2.148
H9	0.225	0.065	-2.148
H10	-0.569	-1.266	1.285
H11	-0.569	-1.266	-1.285

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4120	1.0944	1.5160	1.5160	2.1522	2.1522	2.1555	2.1555	2.1556	2.1556
F2	1.4120		2.0030	2.3688	2.3688	3.3201	3.3201	2.6047	2.6047	2.6594	2.6594
H3	1.0944	2.0030		2.1576	2.1576	2.5060	2.5060	2.4873	2.4873	3.0647	3.0647
C4	1.5160	2.3688	2.1576		2.5459	1.0926	2.8312	1.0907	3.4821	1.0919	2.7816
C5	1.5160	2.3688	2.1576	2.5459		2.8312	1.0926	3.4821	1.0907	2.7816	1.0919
H6	2.1522	3.3201	2.5060	1.0926	2.8312		2.6795	1.7713	3.8271	1.7732	3.1675
H7	2.1522	3.3201	2.5060	2.8312	1.0926	2.6795		3.8271	1.7713	3.1675	1.7732
H8	2.1555	2.6047	2.4873	1.0907	3.4821	1.7713	3.8271		4.2953	1.7741	3.7670
H9	2.1555	2.6047	2.4873	3.4821	1.0907	3.8271	1.7713	4.2953		3.7670	1.7741
H10	2.1556	2.6594	3.0647	1.0919	2.7816	1.7732	3.1675	1.7741	3.7670		2.5709
H11	2.1556	2.6594	3.0647	2.7816	1.0919	3.1675	1.7732	3.7670	1.7741	2.5709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.501	C1	C4	H10	110.437
C1	C5	H7	110.123	C1	C5	H9	110.501
C1	C5	H11	110.437	F2	C1	H3	105.393
F2	C1	C4	107.946	F2	C1	C5	107.946
H3	C1	C4	110.448	H3	C1	C5	110.448
C4	C1	C5	114.214	H7	C5	H9	108.447
H7	C5	H11	108.525	H8	C4	H10	108.750
H9	C5	H11	108.750

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

using model chemistry: TPSSh/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	0.355
2	F	-0.482
3	H	0.070
4	C	-0.271
5	C	-0.271
6	H	0.105
7	H	0.105
8	H	0.087
9	H	0.087
10	H	0.108
11	H	0.108

	x	y	z	Total
	1.575	-1.235	0.000	2.001
CHELPG
AIM
ESP

	x	y	z
x	5.756	-0.152	0.000
y	-0.152	5.914	0.000
z	0.000	0.000	6.590

<r²>	86.053
(<r²>)^1/2	9.276

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

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

States and conformations

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