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	hartrees
Energy at 0K	-218.101169
Energy at 298.15K	-218.109088
HF Energy	-217.200305
Nuclear repulsion energy	133.400768

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3183	23.02
2	A'	3177	3177	40.16
3	A'	3100	3100	22.32
4	A'	3093	3093	6.58
5	A'	1539	1539	6.31
6	A'	1519	1519	6.37
7	A'	1445	1445	22.77
8	A'	1412	1412	8.97
9	A'	1222	1222	18.14
10	A'	1197	1197	56.00
11	A'	996	996	36.66
12	A'	852	852	7.74
13	A'	485	485	3.07
14	A'	357	357	0.89
15	A'	264	264	0.10
16	A"	3181	3181	15.44
17	A"	3170	3170	0.01
18	A"	3089	3089	11.18
19	A"	1515	1515	0.04
20	A"	1509	1509	0.01
21	A"	1445	1445	29.01
22	A"	1402	1402	0.46
23	A"	1192	1192	12.84
24	A"	959	959	0.01
25	A"	944	944	0.62
26	A"	420	420	6.78
27	A"	218	218	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.276	0.246	0.000
F2	-0.862	1.036	0.000
H3	1.124	0.932	0.000
C4	0.276	-0.582	1.263
C5	0.276	-0.582	-1.263
H6	1.184	-1.179	1.322
H7	1.184	-1.179	-1.322
H8	0.227	0.059	2.138
H9	0.227	0.059	-2.138
H10	-0.581	-1.252	1.273
H11	-0.581	-1.252	-1.273

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3859	1.0904	1.5105	1.5105	2.1452	2.1452	2.1471	2.1471	2.1444	2.1444
F2	1.3859		1.9885	2.3477	2.3477	3.2928	3.2928	2.5909	2.5909	2.6336	2.6336
H3	1.0904	1.9885		2.1464	2.1464	2.4916	2.4916	2.4776	2.4776	3.0490	3.0490
C4	1.5105	2.3477	2.1464		2.5265	1.0879	2.8041	1.0865	3.4621	1.0880	2.7597
C5	1.5105	2.3477	2.1464	2.5265		2.8041	1.0879	3.4621	1.0865	2.7597	1.0880
H6	2.1452	3.2928	2.4916	1.0879	2.8041		2.6437	1.7656	3.7980	1.7673	3.1391
H7	2.1452	3.2928	2.4916	2.8041	1.0879	2.6437		3.7980	1.7656	3.1391	1.7673
H8	2.1471	2.5909	2.4776	1.0865	3.4621	1.7656	3.7980		4.2770	1.7669	3.7431
H9	2.1471	2.5909	2.4776	3.4621	1.0865	3.7980	1.7656	4.2770		3.7431	1.7669
H10	2.1444	2.6336	3.0490	1.0880	2.7597	1.7673	3.1391	1.7669	3.7431		2.5459
H11	2.1444	2.6336	3.0490	2.7597	1.0880	3.1391	1.7673	3.7431	1.7669	2.5459

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.480	C1	C4	H10	110.170
C1	C5	H7	110.236	C1	C5	H9	110.480
C1	C5	H11	110.170	F2	C1	H3	106.215
F2	C1	C4	108.228	F2	C1	C5	108.228
H3	C1	C4	110.180	H3	C1	C5	110.180
C4	C1	C5	113.511	H7	C5	H9	108.586
H7	C5	H11	108.627	H8	C4	H10	108.691
H9	C5	H11	108.691

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

using model chemistry: MP3=FULL/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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