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	hartrees
Energy at 0K	-217.882701
Energy at 298.15K	-217.890508
HF Energy	-217.147466
Nuclear repulsion energy	131.393858

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3127	3037
2	A'	3115	3025
3	A'	3054	2966
4	A'	3030	2943
5	A'	1492	1449
6	A'	1473	1430
7	A'	1401	1361
8	A'	1350	1311
9	A'	1191	1157
10	A'	1132	1099
11	A'	948	921
12	A'	817	793
13	A'	469	456
14	A'	349	339
15	A'	254	247
16	A"	3124	3034
17	A"	3108	3019
18	A"	3027	2940
19	A"	1468	1426
20	A"	1463	1421
21	A"	1406	1366
22	A"	1359	1320
23	A"	1167	1133
24	A"	933	906
25	A"	919	893
26	A"	403	391
27	A"	209	203

Atom	x (Å)	y (Å)	z (Å)
C1	0.287	0.244	0.000
F2	-0.892	1.044	0.000
H3	1.130	0.959	0.000
C4	0.287	-0.587	1.278
C5	0.287	-0.587	-1.278
H6	1.213	-1.187	1.337
H7	1.213	-1.187	-1.337
H8	0.234	0.067	2.164
H9	0.234	0.067	-2.164
H10	-0.580	-1.270	1.286
H11	-0.580	-1.270	-1.286

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4252	1.1055	1.5242	1.5242	2.1661	2.1661	2.1716	2.1716	2.1679	2.1679
F2	1.4252		2.0245	2.3841	2.3841	3.3461	3.3461	2.6277	2.6277	2.6663	2.6663
H3	1.1055	2.0245		2.1757	2.1757	2.5295	2.5295	2.5059	2.5059	3.0902	3.0902
C4	1.5242	2.3841	2.1757		2.5557	1.1049	2.8380	1.1026	3.5036	1.1041	2.7916
C5	1.5242	2.3841	2.1757	2.5557		2.8380	1.1049	3.5036	1.1026	2.7916	1.1041
H6	2.1661	3.3461	2.5295	1.1049	2.8380		2.6738	1.7929	3.8452	1.7956	3.1783
H7	2.1661	3.3461	2.5295	2.8380	1.1049	2.6738		3.8452	1.7929	3.1783	1.7956
H8	2.1716	2.6277	2.5059	1.1026	3.5036	1.7929	3.8452		4.3275	1.7953	3.7887
H9	2.1716	2.6277	2.5059	3.5036	1.1026	3.8452	1.7929	4.3275		3.7887	1.7953
H10	2.1679	2.6663	3.0902	1.1041	2.7916	1.7956	3.1783	1.7953	3.7887		2.5722
H11	2.1679	2.6663	3.0902	2.7916	1.1041	3.1783	1.7956	3.7887	1.7953	2.5722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.496	C1	C4	H10	110.108
C1	C5	H7	109.924	C1	C5	H9	110.496
C1	C5	H11	110.108	F2	C1	H3	105.560
F2	C1	C4	107.818	F2	C1	C5	107.818
H3	C1	C4	110.642	H3	C1	C5	110.642
C4	C1	C5	113.934	H7	C5	H9	108.629
H7	C5	H11	108.749	H8	C4	H10	108.894
H9	C5	H11	108.894

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

using model chemistry: CCSD(T)=FULL/aug-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(T)=FULL/aug-cc-pVDZ

States and conformations

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