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	hartrees
Energy at 0K	-217.906223
Energy at 298.15K	-217.914134
HF Energy	-217.202772
Nuclear repulsion energy	132.688595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3161	3017	35.74
2	A'	3153	3010	50.21
3	A'	3090	2949	23.30
4	A'	3073	2933	9.77
5	A'	1535	1465	5.46
6	A'	1520	1450	4.48
7	A'	1458	1391	19.54
8	A'	1419	1354	13.54
9	A'	1231	1175	9.06
10	A'	1187	1133	47.27
11	A'	985	941	46.78
12	A'	841	803	11.25
13	A'	486	464	3.70
14	A'	358	342	0.51
15	A'	268	256	0.11
16	A"	3158	3014	19.25
17	A"	3145	3002	0.19
18	A"	3069	2929	13.63
19	A"	1511	1442	0.04
20	A"	1508	1439	0.01
21	A"	1453	1386	24.01
22	A"	1407	1343	2.85
23	A"	1189	1135	12.63
24	A"	964	920	0.02
25	A"	954	911	0.07
26	A"	419	400	7.45
27	A"	208	198	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.279	0.243	0.000
F2	-0.871	1.044	0.000
H3	1.128	0.933	0.000
C4	0.279	-0.585	1.268
C5	0.279	-0.585	-1.268
H6	1.190	-1.186	1.321
H7	1.190	-1.186	-1.321
H8	0.235	0.060	2.146
H9	0.235	0.060	-2.146
H10	-0.583	-1.255	1.281
H11	-0.583	-1.255	-1.281

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4011	1.0934	1.5152	1.5152	2.1491	2.1491	2.1544	2.1544	2.1517	2.1517
F2	1.4011		2.0019	2.3633	2.3633	3.3113	3.3113	2.6071	2.6071	2.6469	2.6469
H3	1.0934	2.0019		2.1527	2.1527	2.4978	2.4978	2.4827	2.4827	3.0586	3.0586
C4	1.5152	2.3633	2.1527		2.5368	1.0922	2.8102	1.0905	3.4753	1.0918	2.7736
C5	1.5152	2.3633	2.1527	2.5368		2.8102	1.0922	3.4753	1.0905	2.7736	1.0918
H6	2.1491	3.3113	2.4978	1.0922	2.8102		2.6428	1.7733	3.8063	1.7751	3.1501
H7	2.1491	3.3113	2.4978	2.8102	1.0922	2.6428		3.8063	1.7733	3.1501	1.7751
H8	2.1544	2.6071	2.4827	1.0905	3.4753	1.7733	3.8063		4.2923	1.7741	3.7612
H9	2.1544	2.6071	2.4827	3.4753	1.0905	3.8063	1.7733	4.2923		3.7612	1.7741
H10	2.1517	2.6469	3.0586	1.0918	2.7736	1.7751	3.1501	1.7741	3.7612		2.5626
H11	2.1517	2.6469	3.0586	2.7736	1.0918	3.1501	1.7751	3.7612	1.7741	2.5626

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.485	C1	C4	H10	110.189
C1	C5	H7	109.964	C1	C5	H9	110.485
C1	C5	H11	110.189	F2	C1	H3	106.086
F2	C1	C4	108.204	F2	C1	C5	108.204
H3	C1	C4	110.172	H3	C1	C5	110.172
C4	C1	C5	113.681	H7	C5	H9	108.665
H7	C5	H11	108.729	H8	C4	H10	108.765
H9	C5	H11	108.765

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

using model chemistry: CCSD/TZVP

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/TZVP

States and conformations

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