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	hartrees
Energy at 0K	-217.801698
Energy at 298.15K	-217.809589
HF Energy	-217.133307
Nuclear repulsion energy	132.299314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3195	3004	24.14
2	A'	3191	3000	45.24
3	A'	3099	2914	10.79
4	A'	3095	2911	34.22
5	A'	1517	1426	4.23
6	A'	1494	1405	5.48
7	A'	1431	1345	25.91
8	A'	1399	1316	9.95
9	A'	1216	1143	24.91
10	A'	1189	1118	41.27
11	A'	995	935	30.31
12	A'	848	798	8.25
13	A'	480	451	3.09
14	A'	353	331	0.62
15	A'	266	250	0.19
16	A"	3193	3002	14.86
17	A"	3184	2994	0.17
18	A"	3094	2910	14.43
19	A"	1491	1402	0.05
20	A"	1486	1397	0.40
21	A"	1435	1349	30.36
22	A"	1381	1299	2.23
23	A"	1186	1115	11.58
24	A"	950	894	0.08
25	A"	934	878	0.23
26	A"	412	387	7.05
27	A"	219	206	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.277	0.247	0.000
F2	-0.865	1.046	0.000
H3	1.144	0.932	0.000
C4	0.277	-0.587	1.273
C5	0.277	-0.587	-1.273
H6	1.191	-1.199	1.332
H7	1.191	-1.199	-1.332
H8	0.232	0.066	2.158
H9	0.232	0.066	-2.158
H10	-0.598	-1.257	1.286
H11	-0.598	-1.257	-1.286

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3937	1.1049	1.5214	1.5214	2.1683	2.1683	2.1657	2.1657	2.1637	2.1637
F2	1.3937		2.0122	2.3642	2.3642	3.3230	3.3230	2.6112	2.6112	2.6509	2.6509
H3	1.1049	2.0122		2.1628	2.1628	2.5136	2.5136	2.4973	2.4973	3.0789	3.0789
C4	1.5214	2.3642	2.1628		2.5453	1.1019	2.8276	1.1008	3.4923	1.1023	2.7863
C5	1.5214	2.3642	2.1628	2.5453		2.8276	1.1019	3.4923	1.1008	2.7863	1.1023
H6	2.1683	3.3230	2.5136	1.1019	2.8276		2.6642	1.7898	3.8341	1.7909	3.1720
H7	2.1683	3.3230	2.5136	2.8276	1.1019	2.6642		3.8341	1.7898	3.1720	1.7909
H8	2.1657	2.6112	2.4973	1.1008	3.4923	1.7898	3.8341		4.3154	1.7884	3.7817
H9	2.1657	2.6112	2.4973	3.4923	1.1008	3.8341	1.7898	4.3154		3.7817	1.7884
H10	2.1637	2.6509	3.0789	1.1023	2.7863	1.7909	3.1720	1.7884	3.7817		2.5729
H11	2.1637	2.6509	3.0789	2.7863	1.1023	3.1720	1.7909	3.7817	1.7884	2.5729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.331	C1	C4	H10	110.085
C1	C5	H7	110.470	C1	C5	H9	110.331
C1	C5	H11	110.085	F2	C1	H3	106.710
F2	C1	C4	108.307	F2	C1	C5	108.307
H3	C1	C4	109.859	H3	C1	C5	109.859
C4	C1	C5	113.547	H7	C5	H9	108.686
H7	C5	H11	108.681	H8	C4	H10	108.538
H9	C5	H11	108.538

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

using model chemistry: MP3=FULL/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: MP3=FULL/cc-pVDZ

States and conformations

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