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	hartrees
Energy at 0K	-217.816272
Energy at 298.15K	-217.824127
HF Energy	-217.148091
Nuclear repulsion energy	131.831844

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3085	23.16
2	A'	3173	3075	35.46
3	A'	3102	3007	22.83
4	A'	3075	2980	7.95
5	A'	1503	1457	7.09
6	A'	1483	1438	5.14
7	A'	1405	1361	19.03
8	A'	1359	1317	9.36
9	A'	1199	1162	10.30
10	A'	1137	1102	47.79
11	A'	958	928	40.41
12	A'	827	801	19.26
13	A'	474	460	3.30
14	A'	354	343	1.03
15	A'	264	256	0.08
16	A"	3181	3083	14.74
17	A"	3167	3069	0.43
18	A"	3072	2978	11.60
19	A"	1477	1432	0.00
20	A"	1473	1428	0.05
21	A"	1412	1368	29.96
22	A"	1365	1323	0.11
23	A"	1181	1145	10.68
24	A"	939	910	0.02
25	A"	926	898	0.53
26	A"	407	394	6.93
27	A"	216	209	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.287	0.242	0.000
F2	-0.892	1.042	0.000
H3	1.126	0.956	0.000
C4	0.287	-0.585	1.272
C5	0.287	-0.585	-1.272
H6	1.210	-1.181	1.330
H7	1.210	-1.181	-1.330
H8	0.234	0.066	2.155
H9	0.234	0.066	-2.155
H10	-0.576	-1.268	1.279
H11	-0.576	-1.268	-1.279

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4244	1.1019	1.5170	1.5170	2.1558	2.1558	2.1630	2.1630	2.1587	2.1587
F2	1.4244		2.0200	2.3776	2.3776	3.3361	3.3361	2.6200	2.6200	2.6590	2.6590
H3	1.1019	2.0200		2.1672	2.1672	2.5186	2.5186	2.4968	2.4968	3.0787	3.0787
C4	1.5170	2.3776	2.1672		2.5432	1.1007	2.8242	1.0986	3.4883	1.1000	2.7779
C5	1.5170	2.3776	2.1672	2.5432		2.8242	1.1007	3.4883	1.0986	2.7779	1.1000
H6	2.1558	3.3361	2.5186	1.1007	2.8242		2.6599	1.7859	3.8280	1.7889	3.1632
H7	2.1558	3.3361	2.5186	2.8242	1.1007	2.6599		3.8280	1.7859	3.1632	1.7889
H8	2.1630	2.6200	2.4968	1.0986	3.4883	1.7859	3.8280		4.3103	1.7888	3.7720
H9	2.1630	2.6200	2.4968	3.4883	1.0986	3.8280	1.7859	4.3103		3.7720	1.7888
H10	2.1587	2.6590	3.0787	1.1000	2.7779	1.7889	3.1632	1.7888	3.7720		2.5586
H11	2.1587	2.6590	3.0787	2.7779	1.1000	3.1632	1.7889	3.7720	1.7888	2.5586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.558	C1	C4	H10	110.135
C1	C5	H7	109.864	C1	C5	H9	110.558
C1	C5	H11	110.135	F2	C1	H3	105.473
F2	C1	C4	107.828	F2	C1	C5	107.828
H3	C1	C4	110.686	H3	C1	C5	110.686
C4	C1	C5	113.906	H7	C5	H9	108.586
H7	C5	H11	108.752	H8	C4	H10	108.903
H9	C5	H11	108.903

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

using model chemistry: MP2=FULL/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: MP2=FULL/aug-cc-pVDZ

States and conformations

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