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	hartrees
Energy at 0K	-216.901464
Energy at 298.15K	-216.909317
HF Energy	-216.769306
Nuclear repulsion energy	131.468734

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3016	40.60
2	A'	3165	3013	26.94
3	A'	3091	2943	5.56
4	A'	3084	2936	30.94
5	A'	1598	1521	10.31
6	A'	1578	1502	5.95
7	A'	1491	1419	11.72
8	A'	1424	1356	20.67
9	A'	1250	1190	12.84
10	A'	1200	1143	25.34
11	A'	978	931	24.14
12	A'	826	787	2.52
13	A'	464	442	2.17
14	A'	350	333	1.53
15	A'	259	247	0.19
16	A"	3163	3012	11.66
17	A"	3158	3007	2.49
18	A"	3088	2940	10.71
19	A"	1575	1499	0.32
20	A"	1565	1490	0.86
21	A"	1475	1404	12.83
22	A"	1438	1369	18.03
23	A"	1178	1121	18.12
24	A"	998	950	1.59
25	A"	966	919	0.06
26	A"	372	355	6.84
27	A"	224	213	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.292	0.253	0.000
F2	-0.904	1.046	0.000
H3	1.149	0.934	0.000
C4	0.292	-0.590	1.273
C5	0.292	-0.590	-1.273
H6	1.202	-1.191	1.332
H7	1.202	-1.191	-1.332
H8	0.234	0.056	2.152
H9	0.234	0.056	-2.152
H10	-0.576	-1.254	1.270
H11	-0.576	-1.254	-1.270

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4347	1.0942	1.5274	1.5274	2.1651	2.1651	2.1614	2.1614	2.1537	2.1537
F2	1.4347		2.0559	2.3934	2.3934	3.3485	3.3485	2.6272	2.6272	2.6476	2.6476
H3	1.0942	2.0559		2.1629	2.1629	2.5082	2.5082	2.4975	2.4975	3.0618	3.0618
C4	1.5274	2.3934	2.1629		2.5469	1.0921	2.8241	1.0921	3.4861	1.0927	2.7685
C5	1.5274	2.3934	2.1629	2.5469		2.8241	1.0921	3.4861	1.0921	2.7685	1.0927
H6	2.1651	3.3485	2.5082	1.0921	2.8241		2.6632	1.7796	3.8246	1.7802	3.1520
H7	2.1651	3.3485	2.5082	2.8241	1.0921	2.6632		3.8246	1.7796	3.1520	1.7802
H8	2.1614	2.6272	2.4975	1.0921	3.4861	1.7796	3.8246		4.3033	1.7744	3.7526
H9	2.1614	2.6272	2.4975	3.4861	1.0921	3.8246	1.7796	4.3033		3.7526	1.7744
H10	2.1537	2.6476	3.0618	1.0927	2.7685	1.7802	3.1520	1.7744	3.7526		2.5406
H11	2.1537	2.6476	3.0618	2.7685	1.0927	3.1520	1.7802	3.7526	1.7744	2.5406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.096	C1	C4	H10	109.451
C1	C5	H7	110.381	C1	C5	H9	110.096
C1	C5	H11	109.451	F2	C1	H3	108.012
F2	C1	C4	107.759	F2	C1	C5	107.759
H3	C1	C4	110.083	H3	C1	C5	110.083
C4	C1	C5	112.971	H7	C5	H9	109.128
H7	C5	H11	109.134	H8	C4	H10	108.618
H9	C5	H11	108.618

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

using model chemistry: B2PLYP=FULL/3-21G

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: B2PLYP=FULL/3-21G

States and conformations

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