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	hartrees
Energy at 0K	-218.136923
Energy at 298.15K	-218.144809
HF Energy	-217.952182
Nuclear repulsion energy	132.491765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	3014	32.49
2	A'	3170	3009	48.23
3	A'	3091	2934	6.15
4	A'	3083	2926	39.30
5	A'	1561	1481	5.57
6	A'	1542	1463	4.72
7	A'	1465	1391	14.86
8	A'	1417	1345	19.05
9	A'	1232	1169	9.16
10	A'	1187	1127	43.15
11	A'	981	931	39.51
12	A'	843	800	8.20
13	A'	481	457	2.90
14	A'	353	336	0.95
15	A'	269	255	0.12
16	A"	3174	3012	16.71
17	A"	3163	3002	0.05
18	A"	3087	2930	13.58
19	A"	1537	1459	0.01
20	A"	1531	1453	0.06
21	A"	1459	1385	26.04
22	A"	1416	1344	5.16
23	A"	1190	1130	12.62
24	A"	968	919	0.04
25	A"	953	904	0.43
26	A"	408	387	6.68
27	A"	228	216	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.283	0.244	0.000
F2	-0.879	1.035	0.000
H3	1.131	0.938	0.000
C4	0.283	-0.582	1.272
C5	0.283	-0.582	-1.272
H6	1.194	-1.182	1.343
H7	1.194	-1.182	-1.343
H8	0.226	0.069	2.147
H9	0.226	0.069	-2.147
H10	-0.579	-1.254	1.283
H11	-0.579	-1.254	-1.283

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4055	1.0961	1.5166	1.5166	2.1607	2.1607	2.1551	2.1551	2.1529	2.1529
F2	1.4055		2.0127	2.3625	2.3625	3.3192	3.3192	2.6007	2.6007	2.6412	2.6412
H3	1.0961	2.0127		2.1559	2.1559	2.5107	2.5107	2.4870	2.4870	3.0625	3.0625
C4	1.5166	2.3625	2.1559		2.5441	1.0936	2.8338	1.0923	3.4812	1.0934	2.7795
C5	1.5166	2.3625	2.1559	2.5441		2.8338	1.0936	3.4812	1.0923	2.7795	1.0934
H6	2.1607	3.3192	2.5107	1.0936	2.8338		2.6863	1.7749	3.8323	1.7758	3.1700
H7	2.1607	3.3192	2.5107	2.8338	1.0936	2.6863		3.8323	1.7749	3.1700	1.7758
H8	2.1551	2.6007	2.4870	1.0923	3.4812	1.7749	3.8323		4.2945	1.7737	3.7642
H9	2.1551	2.6007	2.4870	3.4812	1.0923	3.8323	1.7749	4.2945		3.7642	1.7737
H10	2.1529	2.6412	3.0625	1.0934	2.7795	1.7758	3.1700	1.7737	3.7642		2.5668
H11	2.1529	2.6412	3.0625	2.7795	1.0934	3.1700	1.7758	3.7642	1.7737	2.5668

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.330	C1	C4	H10	110.093
C1	C5	H7	110.704	C1	C5	H9	110.330
C1	C5	H11	110.093	F2	C1	H3	106.485
F2	C1	C4	107.838	F2	C1	C5	107.838
H3	C1	C4	110.168	H3	C1	C5	110.168
C4	C1	C5	114.014	H7	C5	H9	108.582
H7	C5	H11	108.585	H8	C4	H10	108.488
H9	C5	H11	108.488

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

using model chemistry: B2PLYP/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	0.227
2	F	-0.346
3	H	0.130
4	C	-0.485
5	C	-0.485
6	H	0.150
7	H	0.150
8	H	0.167
9	H	0.167
10	H	0.162
11	H	0.162

	x	y	z	Total
	1.372	-1.084	0.000	1.749
CHELPG
AIM
ESP

	x	y	z
x	4.744	-0.040	0.000
y	-0.040	4.763	0.000
z	0.000	0.000	5.205

<r²>	85.666
(<r²>)^1/2	9.256

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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