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	hartrees
Energy at 0K	-217.792226
Energy at 298.15K	-217.800111
HF Energy	-217.133164
Nuclear repulsion energy	132.200410

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3188	3022	24.60
2	A'	3184	3018	45.89
3	A'	3094	2933	12.47
4	A'	3090	2929	32.55
5	A'	1514	1435	4.17
6	A'	1492	1414	5.40
7	A'	1429	1354	25.61
8	A'	1397	1325	10.09
9	A'	1214	1151	24.64
10	A'	1188	1126	41.29
11	A'	994	942	30.49
12	A'	847	803	8.20
13	A'	479	454	3.10
14	A'	352	334	0.62
15	A'	265	251	0.19
16	A"	3187	3020	15.09
17	A"	3178	3012	0.16
18	A"	3089	2928	14.57
19	A"	1489	1411	0.05
20	A"	1483	1406	0.42
21	A"	1433	1358	30.02
22	A"	1380	1308	2.32
23	A"	1184	1123	11.64
24	A"	949	900	0.07
25	A"	932	884	0.22
26	A"	411	390	7.05
27	A"	218	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	1.145	0.933	0.000
C4	0.277	-0.587	1.274
C5	0.277	-0.587	-1.274
H6	1.192	-1.200	1.333
H7	1.192	-1.200	-1.333
H8	0.232	0.067	2.159
H9	0.232	0.067	-2.159
H10	-0.599	-1.258	1.287
H11	-0.599	-1.258	-1.287

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3944	1.1058	1.5227	1.5227	2.1700	2.1700	2.1675	2.1675	2.1655	2.1655
F2	1.3944		2.0134	2.3657	2.3657	3.3253	3.3253	2.6129	2.6129	2.6527	2.6527
H3	1.1058	2.0134		2.1646	2.1646	2.5157	2.5157	2.4994	2.4994	3.0815	3.0815
C4	1.5227	2.3657	2.1646		2.5475	1.1029	2.8299	1.1018	3.4952	1.1033	2.7886
C5	1.5227	2.3657	2.1646	2.5475		2.8299	1.1029	3.4952	1.1018	2.7886	1.1033
H6	2.1700	3.3253	2.5157	1.1029	2.8299		2.6662	1.7915	3.8373	1.7926	3.1747
H7	2.1700	3.3253	2.5157	2.8299	1.1029	2.6662		3.8373	1.7915	3.1747	1.7926
H8	2.1675	2.6129	2.4994	1.1018	3.4952	1.7915	3.8373		4.3189	1.7901	3.7848
H9	2.1675	2.6129	2.4994	3.4952	1.1018	3.8373	1.7915	4.3189		3.7848	1.7901
H10	2.1655	2.6527	3.0815	1.1033	2.7886	1.7926	3.1747	1.7901	3.7848		2.5748
H11	2.1655	2.6527	3.0815	2.7886	1.1033	3.1747	1.7926	3.7848	1.7901	2.5748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.321	C1	C4	H10	110.080
C1	C5	H7	110.458	C1	C5	H9	110.321
C1	C5	H11	110.080	F2	C1	H3	106.709
F2	C1	C4	108.304	F2	C1	C5	108.304
H3	C1	C4	109.863	H3	C1	C5	109.863
C4	C1	C5	113.547	H7	C5	H9	108.694
H7	C5	H11	108.691	H8	C4	H10	108.545
H9	C5	H11	108.545

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

using model chemistry: MP3/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/cc-pVDZ

States and conformations

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