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	hartrees
Energy at 0K	-218.024670
Energy at 298.15K	-218.032553
HF Energy	-217.213434
Nuclear repulsion energy	133.088659

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3161	3161	26.23
2	A'	3155	3155	41.44
3	A'	3085	3085	22.47
4	A'	3073	3073	7.53
5	A'	1531	1531	5.32
6	A'	1512	1512	5.78
7	A'	1442	1442	21.31
8	A'	1407	1407	10.36
9	A'	1219	1219	18.53
10	A'	1191	1191	51.43
11	A'	993	993	36.75
12	A'	846	846	7.69
13	A'	482	482	3.11
14	A'	355	355	0.71
15	A'	260	260	0.09
16	A"	3158	3158	16.22
17	A"	3148	3148	0.00
18	A"	3070	3070	11.91
19	A"	1507	1507	0.01
20	A"	1503	1503	0.01
21	A"	1441	1441	27.23
22	A"	1398	1398	1.09
23	A"	1187	1187	12.56
24	A"	954	954	0.01
25	A"	940	940	0.39
26	A"	417	417	6.66
27	A"	212	212	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.277	0.246	0.000
F2	-0.864	1.042	0.000
H3	1.127	0.930	0.000
C4	0.277	-0.585	1.265
C5	0.277	-0.585	-1.265
H6	1.184	-1.186	1.320
H7	1.184	-1.186	-1.320
H8	0.231	0.058	2.142
H9	0.231	0.058	-2.142
H10	-0.584	-1.252	1.276
H11	-0.584	-1.252	-1.276

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3911	1.0912	1.5133	1.5133	2.1483	2.1483	2.1510	2.1510	2.1478	2.1478
F2	1.3911		1.9940	2.3553	2.3553	3.3015	3.3015	2.5994	2.5994	2.6396	2.6396
H3	1.0912	1.9940		2.1489	2.1489	2.4945	2.4945	2.4803	2.4803	3.0526	3.0526
C4	1.5133	2.3553	2.1489		2.5303	1.0897	2.8052	1.0884	3.4678	1.0897	2.7648
C5	1.5133	2.3553	2.1489	2.5303		2.8052	1.0897	3.4678	1.0884	2.7648	1.0897
H6	2.1483	3.3015	2.4945	1.0897	2.8052		2.6407	1.7693	3.8006	1.7706	3.1422
H7	2.1483	3.3015	2.4945	2.8052	1.0897	2.6407		3.8006	1.7693	3.1422	1.7706
H8	2.1510	2.5994	2.4803	1.0884	3.4678	1.7693	3.8006		4.2845	1.7700	3.7504
H9	2.1510	2.5994	2.4803	3.4678	1.0884	3.8006	1.7693	4.2845		3.7504	1.7700
H10	2.1478	2.6396	3.0526	1.0897	2.7648	1.7706	3.1422	1.7700	3.7504		2.5517
H11	2.1478	2.6396	3.0526	2.7648	1.0897	3.1422	1.7706	3.7504	1.7700	2.5517

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.468	C1	C4	H10	110.138
C1	C5	H7	110.175	C1	C5	H9	110.468
C1	C5	H11	110.138	F2	C1	H3	106.258
F2	C1	C4	108.297	F2	C1	C5	108.297
H3	C1	C4	110.131	H3	C1	C5	110.131
C4	C1	C5	113.440	H7	C5	H9	108.642
H7	C5	H11	108.662	H8	C4	H10	108.707
H9	C5	H11	108.707

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

using model chemistry: CCD/Def2TZVPP

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: CCD/Def2TZVPP

States and conformations

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