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	hartrees
Energy at 0K	-215.441289
Energy at 298.15K	-215.448666
HF Energy	-215.441289
Nuclear repulsion energy	128.931185

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3414	3414	6.21
2	A'	3412	3412	3.60
3	A'	3234	3234	0.91
4	A'	3135	3135	28.76
5	A'	1655	1655	2.33
6	A'	1644	1644	2.63
7	A'	1527	1527	3.89
8	A'	1455	1455	29.75
9	A'	1249	1249	22.18
10	A'	1229	1229	13.63
11	A'	1013	1013	3.31
12	A'	842	842	0.21
13	A'	475	475	0.30
14	A'	346	346	0.29
15	A'	205	205	0.01
16	A"	3412	3412	0.53
17	A"	3409	3409	1.51
18	A"	3233	3233	1.84
19	A"	1643	1643	0.08
20	A"	1638	1638	0.26
21	A"	1509	1509	1.58
22	A"	1426	1426	21.07
23	A"	1165	1165	15.05
24	A"	984	984	0.72
25	A"	967	967	0.01
26	A"	388	388	1.31
27	A"	164	164	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.267	0.265	0.000
F2	-0.849	1.138	0.000
H3	1.218	0.874	0.000
C4	0.267	-0.633	1.300
C5	0.267	-0.633	-1.300
H6	1.169	-1.273	1.314
H7	1.169	-1.273	-1.314
H8	0.267	0.003	2.205
H9	0.267	0.003	-2.205
H10	-0.629	-1.281	1.320
H11	-0.629	-1.281	-1.320

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4170	1.1294	1.5797	1.5797	2.2150	2.2150	2.2205	2.2205	2.2213	2.2213
F2	1.4170		2.0840	2.4639	2.4639	3.4077	3.4077	2.7195	2.7195	2.7641	2.7641
H3	1.1294	2.0840		2.2057	2.2057	2.5177	2.5177	2.5545	2.5545	3.1301	3.1301
C4	1.5797	2.4639	2.2057		2.5994	1.1062	2.8385	1.1063	3.5619	1.1061	2.8431
C5	1.5797	2.4639	2.2057	2.5994		2.8385	1.1062	3.5619	1.1063	2.8431	1.1061
H6	2.2150	3.4077	2.5177	1.1062	2.8385		2.6290	1.7985	3.8507	1.7984	3.1894
H7	2.2150	3.4077	2.5177	2.8385	1.1062	2.6290		3.8507	1.7985	3.1894	1.7984
H8	2.2205	2.7195	2.5545	1.1063	3.5619	1.7985	3.8507		4.4100	1.7989	3.8567
H9	2.2205	2.7195	2.5545	3.5619	1.1063	3.8507	1.7985	4.4100		3.8567	1.7989
H10	2.2213	2.7641	3.1301	1.1061	2.8431	1.7984	3.1894	1.7989	3.8567		2.6390
H11	2.2213	2.7641	3.1301	2.8431	1.1061	3.1894	1.7984	3.8567	1.7989	2.6390

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.275	C1	C4	H10	110.351
C1	C5	H7	109.859	C1	C5	H9	110.275
C1	C5	H11	110.351	F2	C1	H3	109.332
F2	C1	C4	110.496	F2	C1	C5	110.496
H3	C1	C4	107.853	H3	C1	C5	107.853
C4	C1	C5	110.725	H7	C5	H9	108.753
H7	C5	H11	108.769	H8	C4	H10	108.794
H9	C5	H11	108.794

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

using model chemistry: B97D3/STO-3G

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	0.055
2	F	-0.108
3	H	0.057
4	C	-0.223
5	C	-0.223
6	H	0.074
7	H	0.074
8	H	0.074
9	H	0.074
10	H	0.073
11	H	0.073

	x	y	z
x	2.617	-0.164	0.000
y	-0.164	2.615	0.000
z	0.000	0.000	2.783

<r²>	88.717
(<r²>)^1/2	9.419

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

using model chemistry: B97D3/STO-3G

States and conformations

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