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	hartrees
Energy at 0K	-45.322514
Energy at 298.15K	-45.330249
HF Energy	-45.322514
Nuclear repulsion energy	75.954611

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3195	3195	75.37
2	A'	3185	3185	79.87
3	A'	3123	3123	35.85
4	A'	3080	3080	16.96
5	A'	1534	1534	17.27
6	A'	1509	1509	8.64
7	A'	1452	1452	22.24
8	A'	1362	1362	19.06
9	A'	1222	1222	17.97
10	A'	1150	1150	49.87
11	A'	937	937	32.75
12	A'	809	809	25.26
13	A'	468	468	3.70
14	A'	349	349	1.92
15	A'	235	235	0.12
16	A"	3189	3189	23.13
17	A"	3179	3179	3.52
18	A"	3079	3079	21.82
19	A"	1514	1514	0.66
20	A"	1499	1499	0.32
21	A"	1447	1447	39.00
22	A"	1393	1393	3.05
23	A"	1191	1191	15.44
24	A"	975	975	0.47
25	A"	953	953	2.41
26	A"	388	388	9.07
27	A"	192	192	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.301	0.244	0.000
F2	-0.929	1.047	0.000
H3	1.118	0.980	0.000
C4	0.301	-0.590	1.290
C5	0.301	-0.590	-1.290
H6	1.232	-1.176	1.359
H7	1.232	-1.176	-1.359
H8	0.230	0.064	2.171
H9	0.230	0.064	-2.171
H10	-0.553	-1.284	1.294
H11	-0.553	-1.284	-1.294

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4690	1.0999	1.5354	1.5354	2.1753	2.1753	2.1796	2.1796	2.1764	2.1764
F2	1.4690		2.0483	2.4195	2.4195	3.3855	3.3855	2.6497	2.6497	2.6917	2.6917
H3	1.0999	2.0483		2.1897	2.1897	2.5519	2.5519	2.5183	2.5183	3.0972	3.0972
C4	1.5354	2.4195	2.1897		2.5793	1.1028	2.8686	1.0997	3.5225	1.1010	2.8080
C5	1.5354	2.4195	2.1897	2.5793		2.8686	1.1028	3.5225	1.0997	2.8080	1.1010
H6	2.1753	3.3855	2.5519	1.1028	2.8686		2.7189	1.7897	3.8740	1.7902	3.1998
H7	2.1753	3.3855	2.5519	2.8686	1.1028	2.7189		3.8740	1.7897	3.1998	1.7902
H8	2.1796	2.6497	2.5183	1.0997	3.5225	1.7897	3.8740		4.3419	1.7888	3.7990
H9	2.1796	2.6497	2.5183	3.5225	1.0997	3.8740	1.7897	4.3419		3.7990	1.7888
H10	2.1764	2.6917	3.0972	1.1010	2.8080	1.7902	3.1998	1.7888	3.7990		2.5871
H11	2.1764	2.6917	3.0972	2.8080	1.1010	3.1998	1.7902	3.7990	1.7888	2.5871

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.518	C1	C4	H10	110.188
C1	C5	H7	109.999	C1	C5	H9	110.518
C1	C5	H11	110.188	F2	C1	H3	104.835
F2	C1	C4	107.260	F2	C1	C5	107.260
H3	C1	C4	111.305	H3	C1	C5	111.305
C4	C1	C5	114.261	H7	C5	H9	108.699
H7	C5	H11	108.642	H8	C4	H10	108.748
H9	C5	H11	108.748

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

using model chemistry: wB97X-D/CEP-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	0.043
2	F	-0.303
3	H	0.153
4	C	-0.384
5	C	-0.384
6	H	0.121
7	H	0.121
8	H	0.172
9	H	0.172
10	H	0.144
11	H	0.144

	x	y	z	Total
	2.186	-1.652	0.000	2.740
CHELPG
AIM
ESP

	x	y	z
x	4.534	-0.230	0.000
y	-0.230	4.576	0.000
z	0.000	0.000	4.907

<r²>	75.504
(<r²>)^1/2	8.689

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

using model chemistry: wB97X-D/CEP-31G

States and conformations

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