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	hartrees
Energy at 0K	-217.801139
Energy at 298.15K	-217.809010
HF Energy	-217.132880
Nuclear repulsion energy	132.019716

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	2996	28.10
2	A'	3159	2992	48.15
3	A'	3071	2909	9.43
4	A'	3066	2904	36.57
5	A'	1510	1430	4.13
6	A'	1489	1410	4.99
7	A'	1426	1351	21.23
8	A'	1390	1316	12.00
9	A'	1210	1146	15.70
10	A'	1176	1114	44.28
11	A'	985	933	33.13
12	A'	841	796	9.98
13	A'	477	452	3.12
14	A'	351	333	0.60
15	A'	265	251	0.20
16	A"	3160	2994	16.40
17	A"	3152	2986	0.02
18	A"	3065	2904	16.03
19	A"	1486	1408	0.05
20	A"	1480	1402	0.38
21	A"	1430	1355	27.73
22	A"	1378	1305	2.64
23	A"	1181	1119	10.91
24	A"	947	897	0.05
25	A"	932	882	0.17
26	A"	408	387	7.09
27	A"	217	206

Atom	x (Å)	y (Å)	z (Å)
C1	0.279	0.246	0.000
F2	-0.869	1.047	0.000
H3	1.145	0.936	0.000
C4	0.279	-0.587	1.274
C5	0.279	-0.587	-1.274
H6	1.196	-1.200	1.335
H7	1.196	-1.200	-1.335
H8	0.232	0.068	2.161
H9	0.232	0.068	-2.161
H10	-0.598	-1.260	1.288
H11	-0.598	-1.260	-1.288

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3997	1.1075	1.5228	1.5228	2.1712	2.1712	2.1689	2.1689	2.1669	2.1669
F2	1.3997		2.0179	2.3691	2.3691	3.3309	3.3309	2.6158	2.6158	2.6557	2.6557
H3	1.1075	2.0179		2.1667	2.1667	2.5189	2.5189	2.5014	2.5014	3.0851	3.0851
C4	1.5228	2.3691	2.1667		2.5486	1.1046	2.8324	1.1034	3.4975	1.1048	2.7904
C5	1.5228	2.3691	2.1667	2.5486		2.8324	1.1046	3.4975	1.1034	2.7904	1.1048
H6	2.1712	3.3309	2.5189	1.1046	2.8324		2.6691	1.7940	3.8411	1.7953	3.1780
H7	2.1712	3.3309	2.5189	2.8324	1.1046	2.6691		3.8411	1.7940	3.1780	1.7953
H8	2.1689	2.6158	2.5014	1.1034	3.4975	1.7940	3.8411		4.3220	1.7925	3.7879
H9	2.1689	2.6158	2.5014	3.4975	1.1034	3.8411	1.7940	4.3220		3.7879	1.7925
H10	2.1669	2.6557	3.0851	1.1048	2.7904	1.7953	3.1780	1.7925	3.7879		2.5763
H11	2.1669	2.6557	3.0851	2.7904	1.1048	3.1780	1.7953	3.7879	1.7925	2.5763

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.332	C1	C4	H10	110.096
C1	C5	H7	110.443	C1	C5	H9	110.332
C1	C5	H11	110.096	F2	C1	H3	106.616
F2	C1	C4	108.246	F2	C1	C5	108.246
H3	C1	C4	109.925	H3	C1	C5	109.925
C4	C1	C5	113.616	H7	C5	H9	108.681
H7	C5	H11	108.700	H8	C4	H10	108.538
H9	C5	H11	108.538

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

using model chemistry: CCSD/cc-pVDZ

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/cc-pVDZ

States and conformations

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