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	hartrees
Energy at 0K	-217.713322
Energy at 298.15K	-217.721264
HF Energy	-217.118170
Nuclear repulsion energy	132.606210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3201	3004	26.19
2	A'	3195	2999	41.97
3	A'	3111	2920	3.46
4	A'	3109	2918	36.71
5	A'	1569	1473	6.78
6	A'	1552	1457	5.11
7	A'	1480	1389	20.94
8	A'	1435	1347	18.20
9	A'	1248	1171	11.31
10	A'	1213	1138	45.64
11	A'	1008	946	32.75
12	A'	860	807	7.54
13	A'	488	458	3.36
14	A'	360	338	0.98
15	A'	273	256	0.14
16	A"	3199	3002	14.39
17	A"	3188	2993	0.01
18	A"	3108	2917	11.00
19	A"	1546	1451	0.07
20	A"	1541	1447	0.06
21	A"	1479	1389	32.28
22	A"	1431	1343	1.45
23	A"	1210	1136	10.82
24	A"	982	922	0.02
25	A"	961	902	0.61
26	A"	416	390	7.15
27	A"	232	218	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.284	0.245	0.000
F2	-0.880	1.030	0.000
H3	1.129	0.944	0.000
C4	0.284	-0.580	1.271
C5	0.284	-0.580	-1.271
H6	1.194	-1.184	1.339
H7	1.194	-1.184	-1.339
H8	0.228	0.073	2.146
H9	0.228	0.073	-2.146
H10	-0.582	-1.249	1.279
H11	-0.582	-1.249	-1.279

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4034	1.0967	1.5158	1.5158	2.1598	2.1598	2.1535	2.1535	2.1492	2.1492
F2	1.4034		2.0106	2.3585	2.3585	3.3159	3.3159	2.5979	2.5979	2.6300	2.6300
H3	1.0967	2.0106		2.1574	2.1574	2.5152	2.5152	2.4850	2.4850	3.0618	3.0618
C4	1.5158	2.3585	2.1574		2.5424	1.0943	2.8298	1.0930	3.4794	1.0941	2.7753
C5	1.5158	2.3585	2.1574	2.5424		2.8298	1.0943	3.4794	1.0930	2.7753	1.0941
H6	2.1598	3.3159	2.5152	1.0943	2.8298		2.6786	1.7782	3.8286	1.7787	3.1650
H7	2.1598	3.3159	2.5152	2.8298	1.0943	2.6786		3.8286	1.7782	3.1650	1.7787
H8	2.1535	2.5979	2.4850	1.0930	3.4794	1.7782	3.8286		4.2918	1.7762	3.7598
H9	2.1535	2.5979	2.4850	3.4794	1.0930	3.8286	1.7782	4.2918		3.7598	1.7762
H10	2.1492	2.6300	3.0618	1.0941	2.7753	1.7787	3.1650	1.7762	3.7598		2.5587
H11	2.1492	2.6300	3.0618	2.7753	1.0941	3.1650	1.7787	3.7598	1.7762	2.5587

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.222	C1	C4	H10	109.814
C1	C5	H7	110.643	C1	C5	H9	110.222
C1	C5	H11	109.814	F2	C1	H3	106.422
F2	C1	C4	107.728	F2	C1	C5	107.728
H3	C1	C4	110.311	H3	C1	C5	110.311
C4	C1	C5	113.993	H7	C5	H9	108.774
H7	C5	H11	108.738	H8	C4	H10	108.603
H9	C5	H11	108.603

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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