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	hartrees
Energy at 0K	-218.013827
Energy at 298.15K	-218.021722
HF Energy	-217.199975
Nuclear repulsion energy	132.955529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3148	2969	28.66
2	A'	3142	2963	42.20
3	A'	3068	2894	20.68
4	A'	3061	2887	8.93
5	A'	1533	1446	6.06
6	A'	1514	1428	5.75
7	A'	1441	1359	18.30
8	A'	1400	1320	10.80
9	A'	1218	1149	11.60
10	A'	1181	1114	55.11
11	A'	983	927	41.85
12	A'	842	794	9.56
13	A'	481	454	3.11
14	A'	355	335	0.87
15	A'	262	247	0.10
16	A"	3145	2966	16.92
17	A"	3134	2955	0.06
18	A"	3057	2883	12.50
19	A"	1510	1424	0.03
20	A"	1504	1419	0.02
21	A"	1440	1358	25.89
22	A"	1397	1318	0.97
23	A"	1185	1117	12.47
24	A"	954	900	0.00
25	A"	941	888	0.44
26	A"	416	392	6.80
27	A"	217	204	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.279	0.245	0.000
F2	-0.869	1.037	0.000
H3	1.124	0.939	0.000
C4	0.279	-0.583	1.267
C5	0.279	-0.583	-1.267
H6	1.191	-1.180	1.327
H7	1.191	-1.180	-1.327
H8	0.228	0.062	2.144
H9	0.228	0.062	-2.144
H10	-0.580	-1.256	1.277
H11	-0.580	-1.256	-1.277

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3940	1.0934	1.5141	1.5141	2.1499	2.1499	2.1525	2.1525	2.1500	2.1500
F2	1.3940		1.9952	2.3554	2.3554	3.3037	3.3037	2.5982	2.5982	2.6408	2.6408
H3	1.0934	1.9952		2.1534	2.1534	2.5004	2.5004	2.4840	2.4840	3.0581	3.0581
C4	1.5141	2.3554	2.1534		2.5346	1.0912	2.8134	1.0896	3.4722	1.0910	2.7683
C5	1.5141	2.3554	2.1534	2.5346		2.8134	1.0912	3.4722	1.0896	2.7683	1.0910
H6	2.1499	3.3037	2.5004	1.0912	2.8134		2.6531	1.7710	3.8097	1.7727	3.1493
H7	2.1499	3.3037	2.5004	2.8134	1.0912	2.6531		3.8097	1.7710	3.1493	1.7727
H8	2.1525	2.5982	2.4840	1.0896	3.4722	1.7710	3.8097		4.2882	1.7723	3.7540
H9	2.1525	2.5982	2.4840	3.4722	1.0896	3.8097	1.7710	4.2882		3.7540	1.7723
H10	2.1500	2.6408	3.0581	1.0910	2.7683	1.7727	3.1493	1.7723	3.7540		2.5539
H11	2.1500	2.6408	3.0581	2.7683	1.0910	3.1493	1.7727	3.7540	1.7723	2.5539

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.465	C1	C4	H10	110.182
C1	C5	H7	110.160	C1	C5	H9	110.465
C1	C5	H11	110.182	F2	C1	H3	106.036
F2	C1	C4	108.109	F2	C1	C5	108.109
H3	C1	C4	110.305	H3	C1	C5	110.305
C4	C1	C5	113.643	H7	C5	H9	108.601
H7	C5	H11	108.653	H8	C4	H10	108.730
H9	C5	H11	108.730

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

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

States and conformations

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