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	hartrees
Energy at 0K	-217.893220
Energy at 298.15K	-217.901221
HF Energy	-217.200456
Nuclear repulsion energy	133.809888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3240	2993	31.22
2	A'	3235	2989	42.32
3	A'	3163	2923	21.09
4	A'	3152	2913	8.03
5	A'	1581	1461	6.10
6	A'	1562	1443	6.19
7	A'	1492	1378	21.78
8	A'	1451	1340	10.94
9	A'	1258	1163	14.97
10	A'	1227	1134	61.63
11	A'	1021	943	44.07
12	A'	869	803	8.85
13	A'	497	459	3.26
14	A'	365	338	0.92
15	A'	270	249	0.11
16	A"	3237	2991	16.77
17	A"	3227	2981	0.01
18	A"	3148	2908	12.52
19	A"	1558	1439	0.04
20	A"	1552	1434	0.00
21	A"	1492	1378	27.47
22	A"	1444	1334	0.89
23	A"	1221	1128	13.17
24	A"	985	911	0.01
25	A"	972	898	0.53
26	A"	430	397	7.21
27	A"	223	206	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.275	0.244	0.000
F2	-0.858	1.033	0.000
H3	1.118	0.927	0.000
C4	0.275	-0.580	1.262
C5	0.275	-0.580	-1.262
H6	1.178	-1.175	1.322
H7	1.178	-1.175	-1.322
H8	0.227	0.062	2.132
H9	0.227	0.062	-2.132
H10	-0.580	-1.246	1.276
H11	-0.580	-1.246	-1.276

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3803	1.0853	1.5074	1.5074	2.1390	2.1390	2.1404	2.1404	2.1391	2.1391
F2	1.3803		1.9784	2.3404	2.3404	3.2810	3.2810	2.5819	2.5819	2.6259	2.6259
H3	1.0853	1.9784		2.1392	2.1392	2.4839	2.4839	2.4674	2.4674	3.0381	3.0381
C4	1.5074	2.3404	2.1392		2.5248	1.0832	2.8012	1.0819	3.4550	1.0831	2.7596
C5	1.5074	2.3404	2.1392	2.5248		2.8012	1.0832	3.4550	1.0819	2.7596	1.0831
H6	2.1390	3.2810	2.4839	1.0832	2.8012		2.6431	1.7580	3.7896	1.7597	3.1371
H7	2.1390	3.2810	2.4839	2.8012	1.0832	2.6431		3.7896	1.7580	3.1371	1.7597
H8	2.1404	2.5819	2.4674	1.0819	3.4550	1.7580	3.7896		4.2642	1.7587	3.7382
H9	2.1404	2.5819	2.4674	3.4550	1.0819	3.7896	1.7580	4.2642		3.7382	1.7587
H10	2.1391	2.6259	3.0381	1.0831	2.7596	1.7597	3.1371	1.7587	3.7382		2.5517
H11	2.1391	2.6259	3.0381	2.7596	1.0831	3.1371	1.7597	3.7382	1.7587	2.5517

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.428	C1	C4	H10	110.252
C1	C5	H7	110.240	C1	C5	H9	110.428
C1	C5	H11	110.252	F2	C1	H3	106.104
F2	C1	C4	108.204	F2	C1	C5	108.204
H3	C1	C4	110.131	H3	C1	C5	110.131
C4	C1	C5	113.744	H7	C5	H9	108.574
H7	C5	H11	108.647	H8	C4	H10	108.648
H9	C5	H11	108.648

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

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

States and conformations

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