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	hartrees
Energy at 0K	-218.205064
Energy at 298.15K	-218.198945
HF Energy	-217.118999
Nuclear repulsion energy	133.409084

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3292	3101	77.49	65.42	0.54	0.70
2	A'	3285	3095	66.61	86.12	0.75	0.86
3	A'	3240	3053	22.50	153.13	0.38	0.55
4	A'	3215	3029	14.74	177.24	0.01	0.01
5	A'	1655	1559	4.15	4.25	0.75	0.86
6	A'	1635	1541	3.53	19.92	0.75	0.86
7	A'	1575	1484	18.11	3.39	0.59	0.74
8	A'	1523	1435	21.19	8.21	0.71	0.83
9	A'	1312	1236	12.06	2.63	0.36	0.53
10	A'	1279	1205	54.61	2.70	0.72	0.84
11	A'	1059	998	55.47	8.41	0.70	0.82
12	A'	886	835	8.93	10.46	0.16	0.28
13	A'	512	482	4.16	0.42	0.07	0.13
14	A'	375	353	0.71	0.16	0.17	0.29
15	A'	277	261	0.20	0.01	0.73	0.84
16	A"	3286	3096	25.89	58.49	0.75	0.86
17	A"	3275	3086	0.24	7.24	0.75	0.86
18	A"	3210	3024	21.20	3.55	0.75	0.86
19	A"	1631	1537	0.00	15.60	0.75	0.86
20	A"	1626	1532	0.15	17.52	0.75	0.86
21	A"	1572	1481	22.47	0.86	0.75	0.86
22	A"	1516	1428	5.99	2.69	0.75	0.86
23	A"	1256	1183	13.62	6.46	0.75	0.86
24	A"	1027	968	0.01	4.60	0.75	0.86
25	A"	1015	956	0.11	1.04	0.75	0.86
26	A"	438	413	8.07	0.55	0.75	0.86
27	A"	233	219	0.00	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.286	0.245	0.000
F2	-0.885	1.028	0.000
H3	1.128	0.946	0.000
C4	0.286	-0.579	1.267
C5	0.286	-0.579	-1.267
H6	1.196	-1.181	1.336
H7	1.196	-1.181	-1.336
H8	0.228	0.072	2.142
H9	0.228	0.072	-2.142
H10	-0.579	-1.248	1.273
H11	-0.579	-1.248	-1.273

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4083	1.0962	1.5115	1.5115	2.1557	2.1557	2.1497	2.1497	2.1437	2.1437
F2	1.4083		2.0146	2.3577	2.3577	3.3158	3.3158	2.5963	2.5963	2.6259	2.6259
H3	1.0962	2.0146		2.1544	2.1544	2.5127	2.5127	2.4825	2.4825	3.0573	3.0573
C4	1.5115	2.3577	2.1544		2.5341	1.0932	2.8229	1.0920	3.4711	1.0928	2.7649
C5	1.5115	2.3577	2.1544	2.5341		2.8229	1.0932	3.4711	1.0920	2.7649	1.0928
H6	2.1557	3.3158	2.5127	1.0932	2.8229		2.6729	1.7760	3.8216	1.7769	3.1561
H7	2.1557	3.3158	2.5127	2.8229	1.0932	2.6729		3.8216	1.7760	3.1561	1.7769
H8	2.1497	2.5963	2.4825	1.0920	3.4711	1.7760	3.8216		4.2839	1.7742	3.7486
H9	2.1497	2.5963	2.4825	3.4711	1.0920	3.8216	1.7760	4.2839		3.7486	1.7742
H10	2.1437	2.6259	3.0573	1.0928	2.7649	1.7769	3.1561	1.7742	3.7486		2.5454
H11	2.1437	2.6259	3.0573	2.7649	1.0928	3.1561	1.7769	3.7486	1.7742	2.5454

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.309	C1	C4	H10	110.378
C1	C5	H7	110.659	C1	C5	H9	110.309
C1	C5	H11	110.378	F2	C1	H3	106.408
F2	C1	C4	107.981	F2	C1	C5	107.981
H3	C1	C4	110.086	H3	C1	C5	110.086
C4	C1	C5	113.976	H7	C5	H9	108.499
H7	C5	H11	108.566	H8	C4	H10	108.363
H9	C5	H11	108.363

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

using model chemistry: G3

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: G3

States and conformations

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