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	hartrees
Energy at 0K	-217.934192
Energy at 298.15K	-217.942135
HF Energy	-217.139418
Nuclear repulsion energy	133.357735

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3193	3007	27.67
2	A'	3191	3005	30.04
3	A'	3105	2924	3.90
4	A'	3094	2914	32.65
5	A'	1557	1466	4.66
6	A'	1536	1446	4.36
7	A'	1457	1372	21.80
8	A'	1426	1342	10.84
9	A'	1234	1162	18.00
10	A'	1207	1136	45.13
11	A'	1008	949	28.08
12	A'	856	806	6.03
13	A'	483	455	2.50
14	A'	357	336	0.87
15	A'	271	255	0.10
16	A"	3191	3004	12.58
17	A"	3185	2999	0.03
18	A"	3102	2921	10.69
19	A"	1532	1443	0.00
20	A"	1527	1437	0.01
21	A"	1457	1372	27.52
22	A"	1412	1330	1.61
23	A"	1201	1130	11.09
24	A"	969	912	0.04
25	A"	953	898	0.55
26	A"	413	389	5.80
27	A"	231	218	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.276	0.250	0.000
F2	-0.861	1.034	0.000
H3	1.133	0.929	0.000
C4	0.276	-0.583	1.263
C5	0.276	-0.583	-1.263
H6	1.182	-1.186	1.323
H7	1.182	-1.186	-1.323
H8	0.229	0.060	2.141
H9	0.229	0.060	-2.141
H10	-0.588	-1.247	1.273
H11	-0.588	-1.247	-1.273

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3817	1.0937	1.5128	1.5128	2.1522	2.1522	2.1503	2.1503	2.1467	2.1467
F2	1.3817		1.9970	2.3460	2.3460	3.2947	3.2947	2.5928	2.5928	2.6272	2.6272
H3	1.0937	1.9970		2.1485	2.1485	2.4954	2.4954	2.4818	2.4818	3.0529	3.0529
C4	1.5128	2.3460	2.1485		2.5265	1.0903	2.8057	1.0893	3.4652	1.0903	2.7605
C5	1.5128	2.3460	2.1485	2.5265		2.8057	1.0903	3.4652	1.0893	2.7605	1.0903
H6	2.1522	3.2947	2.4954	1.0903	2.8057		2.6451	1.7701	3.8029	1.7717	3.1421
H7	2.1522	3.2947	2.4954	2.8057	1.0903	2.6451		3.8029	1.7701	3.1421	1.7717
H8	2.1503	2.5928	2.4818	1.0893	3.4652	1.7701	3.8029		4.2829	1.7695	3.7462
H9	2.1503	2.5928	2.4818	3.4652	1.0893	3.8029	1.7701	4.2829		3.7462	1.7695
H10	2.1467	2.6272	3.0529	1.0903	2.7605	1.7717	3.1421	1.7695	3.7462		2.5457
H11	2.1467	2.6272	3.0529	2.7605	1.0903	3.1421	1.7717	3.7462	1.7695	2.5457

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.397	C1	C4	H10	110.054
C1	C5	H7	110.491	C1	C5	H9	110.397
C1	C5	H11	110.054	F2	C1	H3	106.985
F2	C1	C4	108.208	F2	C1	C5	108.208
H3	C1	C4	109.988	H3	C1	C5	109.988
C4	C1	C5	113.239	H7	C5	H9	108.607
H7	C5	H11	108.684	H8	C4	H10	108.555
H9	C5	H11	108.555

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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: CCSD=FULL/6-31G(2df,p)

States and conformations

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