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	hartrees
Energy at 0K	-218.174829
Energy at 298.15K	-218.182730
HF Energy	-217.220121
Nuclear repulsion energy	133.565419

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3199	3062	17.38
2	A'	3193	3056	28.06
3	A'	3110	2976	23.93
4	A'	3096	2963	5.01
5	A'	1532	1466	7.82
6	A'	1512	1447	6.44
7	A'	1426	1365	21.69
8	A'	1390	1330	8.42
9	A'	1216	1164	12.42
10	A'	1170	1120	51.56
11	A'	979	937	38.04
12	A'	846	810	11.00
13	A'	482	461	3.01
14	A'	357	341	0.97
15	A'	267	256	0.08
16	A"	3197	3060	11.62
17	A"	3186	3050	0.07
18	A"	3094	2961	9.57
19	A"	1506	1441	0.01
20	A"	1501	1436	0.04
21	A"	1427	1366	32.58
22	A"	1389	1330	0.02
23	A"	1192	1141	12.35
24	A"	953	912	0.00
25	A"	941	901	0.71
26	A"	413	396	6.46
27	A"	218	209	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.280	0.243	0.000
F2	-0.871	1.035	0.000
H3	1.120	0.934	0.000
C4	0.280	-0.581	1.257
C5	0.280	-0.581	-1.257
H6	1.186	-1.176	1.313
H7	1.186	-1.176	-1.313
H8	0.230	0.058	2.131
H9	0.230	0.058	-2.131
H10	-0.575	-1.249	1.262
H11	-0.575	-1.249	-1.262

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3966	1.0876	1.5028	1.5028	2.1350	2.1350	2.1395	2.1395	2.1331	2.1331
F2	1.3966		1.9932	2.3482	2.3482	3.2925	3.2925	2.5897	2.5897	2.6262	2.6262
H3	1.0876	1.9932		2.1399	2.1399	2.4857	2.4857	2.4699	2.4699	3.0381	3.0381
C4	1.5028	2.3482	2.1399		2.5136	1.0852	2.7891	1.0836	3.4477	1.0850	2.7427
C5	1.5028	2.3482	2.1399	2.5136		2.7891	1.0852	3.4477	1.0836	2.7427	1.0850
H6	2.1350	3.2925	2.4857	1.0852	2.7891		2.6263	1.7618	3.7811	1.7630	3.1206
H7	2.1350	3.2925	2.4857	2.7891	1.0852	2.6263		3.7811	1.7618	3.1206	1.7630
H8	2.1395	2.5897	2.4699	1.0836	3.4477	1.7618	3.7811		4.2617	1.7634	3.7240
H9	2.1395	2.5897	2.4699	3.4477	1.0836	3.7811	1.7618	4.2617		3.7240	1.7634
H10	2.1331	2.6262	3.0381	1.0850	2.7427	1.7630	3.1206	1.7634	3.7240		2.5245
H11	2.1331	2.6262	3.0381	2.7427	1.0850	3.1206	1.7630	3.7240	1.7634	2.5245

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.578	C1	C4	H10	109.983
C1	C5	H7	110.125	C1	C5	H9	110.578
C1	C5	H11	109.983	F2	C1	H3	106.038
F2	C1	C4	108.114	F2	C1	C5	108.114
H3	C1	C4	110.372	H3	C1	C5	110.372
C4	C1	C5	113.504	H7	C5	H9	108.648
H7	C5	H11	108.656	H8	C4	H10	108.805
H9	C5	H11	108.805

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

using model chemistry: MP2=FULL/cc-pVQZ

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: MP2=FULL/cc-pVQZ

States and conformations

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