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	hartrees
Energy at 0K	-217.729508
Energy at 298.15K	-217.737456
HF Energy	-217.118250
Nuclear repulsion energy	132.722242

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3202	3004	25.82
2	A'	3196	2999	41.69
3	A'	3112	2920	3.37
4	A'	3109	2917	36.78
5	A'	1570	1473	6.83
6	A'	1552	1457	5.18
7	A'	1481	1389	21.20
8	A'	1437	1348	18.18
9	A'	1249	1172	11.63
10	A'	1214	1140	45.81
11	A'	1009	947	32.46
12	A'	861	808	7.43
13	A'	489	459	3.35
14	A'	361	339	0.98
15	A'	274	257	0.14
16	A"	3200	3002	14.32
17	A"	3190	2993	0.01
18	A"	3109	2917	10.93
19	A"	1547	1451	0.07
20	A"	1542	1447	0.05
21	A"	1481	1389	32.55
22	A"	1432	1344	1.42
23	A"	1211	1137	10.81
24	A"	984	923	0.02
25	A"	962	903	0.64
26	A"	417	391	7.13
27	A"	233	218	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.283	0.245	0.000
F2	-0.879	1.029	0.000
H3	1.129	0.944	0.000
C4	0.283	-0.580	1.270
C5	0.283	-0.580	-1.270
H6	1.193	-1.184	1.338
H7	1.193	-1.184	-1.338
H8	0.228	0.072	2.145
H9	0.228	0.072	-2.145
H10	-0.583	-1.248	1.278
H11	-0.583	-1.248	-1.278

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4017	1.0965	1.5143	1.5143	2.1585	2.1585	2.1523	2.1523	2.1477	2.1477
F2	1.4017		2.0092	2.3561	2.3561	3.3133	3.3133	2.5962	2.5962	2.6277	2.6277
H3	1.0965	2.0092		2.1560	2.1560	2.5138	2.5138	2.4839	2.4839	3.0602	3.0602
C4	1.5143	2.3561	2.1560		2.5392	1.0940	2.8266	1.0927	3.4764	1.0938	2.7721
C5	1.5143	2.3561	2.1560	2.5392		2.8266	1.0940	3.4764	1.0927	2.7721	1.0938
H6	2.1585	3.3133	2.5138	1.0940	2.8266		2.6751	1.7775	3.8254	1.7780	3.1618
H7	2.1585	3.3133	2.5138	2.8266	1.0940	2.6751		3.8254	1.7775	3.1618	1.7780
H8	2.1523	2.5962	2.4839	1.0927	3.4764	1.7775	3.8254		4.2893	1.7754	3.7566
H9	2.1523	2.5962	2.4839	3.4764	1.0927	3.8254	1.7775	4.2893		3.7566	1.7754
H10	2.1477	2.6277	3.0602	1.0938	2.7721	1.7780	3.1618	1.7754	3.7566		2.5553
H11	2.1477	2.6277	3.0602	2.7721	1.0938	3.1618	1.7780	3.7566	1.7754	2.5553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.249	C1	C4	H10	109.820
C1	C5	H7	110.662	C1	C5	H9	110.249
C1	C5	H11	109.820	F2	C1	H3	106.443
F2	C1	C4	107.741	F2	C1	C5	107.741
H3	C1	C4	110.315	H3	C1	C5	110.315
C4	C1	C5	113.945	H7	C5	H9	108.757
H7	C5	H11	108.720	H8	C4	H10	108.584
H9	C5	H11	108.584

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

using model chemistry: MP3=FULL/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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All results from a given calculation for CH3CHFCH3 (2-Fluoropropane)

using model chemistry: MP3=FULL/6-31G*

States and conformations

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