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	hartrees
Energy at 0K	-218.200334
Energy at 298.15K
HF Energy	-217.982125
Nuclear repulsion energy	131.885086

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3154	3035	30.20
2	A'	3143	3025	43.53
3	A'	3080	2964	21.52
4	A'	3061	2945	9.57
5	A'	1497	1441	6.94
6	A'	1478	1422	5.31
7	A'	1407	1354	17.00
8	A'	1353	1302	9.84
9	A'	1197	1152	9.12
10	A'	1132	1089	47.36
11	A'	942	907	46.79
12	A'	818	787	22.27
13	A'	474	457	3.24
14	A'	354	341	1.16
15	A'	255	245	0.07
16	A"	3151	3032	17.07
17	A"	3136	3018	0.58
18	A"	3057	2941	12.99
19	A"	1472	1417	0.00
20	A"	1468	1413	0.04
21	A"	1410	1357	28.86
22	A"	1368	1316	0.34
23	A"	1172	1128	12.20
24	A"	939	904	0.01
25	A"	929	894	0.46
26	A"	406	390	7.00
27	A"	209	201	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.286	0.238	0.000
F2	-0.889	1.042	0.000
H3	1.123	0.950	0.000
C4	0.286	-0.584	1.274
C5	0.286	-0.584	-1.274
H6	1.208	-1.177	1.337
H7	1.208	-1.177	-1.337
H8	0.232	0.070	2.153
H9	0.232	0.070	-2.153
H10	-0.573	-1.268	1.289
H11	-0.573	-1.268	-1.289

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4238	1.0998	1.5162	1.5162	2.1545	2.1545	2.1602	2.1602	2.1600	2.1600
F2	1.4238		2.0145	2.3766	2.3766	3.3337	3.3337	2.6150	2.6150	2.6640	2.6640
H3	1.0998	2.0145		2.1632	2.1632	2.5144	2.5144	2.4907	2.4907	3.0757	3.0757
C4	1.5162	2.3766	2.1632		2.5489	1.0988	2.8328	1.0966	3.4898	1.0981	2.7888
C5	1.5162	2.3766	2.1632	2.5489		2.8328	1.0988	3.4898	1.0966	2.7888	1.0981
H6	2.1545	3.3337	2.5144	1.0988	2.8328		2.6746	1.7816	3.8329	1.7846	3.1749
H7	2.1545	3.3337	2.5144	2.8328	1.0988	2.6746		3.8329	1.7816	3.1749	1.7846
H8	2.1602	2.6150	2.4907	1.0966	3.4898	1.7816	3.8329		4.3061	1.7849	3.7799
H9	2.1602	2.6150	2.4907	3.4898	1.0966	3.8329	1.7816	4.3061		3.7799	1.7849
H10	2.1600	2.6640	3.0757	1.0981	2.7888	1.7846	3.1749	1.7849	3.7799		2.5781
H11	2.1600	2.6640	3.0757	2.7888	1.0981	3.1749	1.7846	3.7799	1.7849	2.5781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.505	C1	C4	H10	110.400
C1	C5	H7	109.920	C1	C5	H9	110.505
C1	C5	H11	110.400	F2	C1	H3	105.205
F2	C1	C4	107.828	F2	C1	C5	107.828
H3	C1	C4	110.550	H3	C1	C5	110.550
C4	C1	C5	114.392	H7	C5	H9	108.487
H7	C5	H11	108.645	H8	C4	H10	108.833
H9	C5	H11	108.833

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/aug-cc-pVDZ

States and conformations

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