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	hartrees
Energy at 0K	-218.067677
Energy at 298.15K	-218.075553
HF Energy	-217.213364
Nuclear repulsion energy	133.299204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	3186	18.54
2	A'	3180	3180	29.89
3	A'	3100	3100	24.71
4	A'	3086	3086	5.50
5	A'	1526	1526	6.96
6	A'	1507	1507	6.21
7	A'	1426	1426	21.36
8	A'	1390	1390	9.09
9	A'	1210	1210	13.72
10	A'	1170	1170	51.56
11	A'	979	979	37.09
12	A'	844	844	10.34
13	A'	480	480	3.00
14	A'	355	355	0.80
15	A'	266	266	0.08
16	A"	3184	3184	12.46
17	A"	3174	3174	0.05
18	A"	3084	3084	10.23
19	A"	1500	1500	0.01
20	A"	1496	1496	0.00
21	A"	1427	1427	31.82
22	A"	1387	1387	0.15
23	A"	1189	1189	12.74
24	A"	949	949	0.00
25	A"	936	936	0.60
26	A"	413	413	6.40
27	A"	213	213	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.280	0.244	0.000
F2	-0.871	1.039	0.000
H3	1.123	0.933	0.000
C4	0.280	-0.583	1.259
C5	0.280	-0.583	-1.259
H6	1.187	-1.179	1.315
H7	1.187	-1.179	-1.315
H8	0.230	0.057	2.134
H9	0.230	0.057	-2.134
H10	-0.577	-1.251	1.265
H11	-0.577	-1.251	-1.265

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3985	1.0885	1.5070	1.5070	2.1394	2.1394	2.1430	2.1430	2.1376	2.1376
F2	1.3985		1.9968	2.3541	2.3541	3.2988	3.2988	2.5946	2.5946	2.6324	2.6324
H3	1.0885	1.9968		2.1436	2.1436	2.4883	2.4883	2.4736	2.4736	3.0427	3.0427
C4	1.5070	2.3541	2.1436		2.5189	1.0866	2.7936	1.0851	3.4539	1.0864	2.7479
C5	1.5070	2.3541	2.1436	2.5189		2.7936	1.0866	3.4539	1.0851	2.7479	1.0864
H6	2.1394	3.2988	2.4883	1.0866	2.7936		2.6295	1.7646	3.7865	1.7661	3.1256
H7	2.1394	3.2988	2.4883	2.7936	1.0866	2.6295		3.7865	1.7646	3.1256	1.7661
H8	2.1430	2.5946	2.4736	1.0851	3.4539	1.7646	3.7865		4.2684	1.7660	3.7302
H9	2.1430	2.5946	2.4736	3.4539	1.0851	3.7865	1.7646	4.2684		3.7302	1.7660
H10	2.1376	2.6324	3.0427	1.0864	2.7479	1.7661	3.1256	1.7660	3.7302		2.5292
H11	2.1376	2.6324	3.0427	2.7479	1.0864	3.1256	1.7661	3.7302	1.7660	2.5292

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.477	C1	C4	H10	109.967
C1	C5	H7	110.097	C1	C5	H9	110.477
C1	C5	H11	109.967	F2	C1	H3	106.144
F2	C1	C4	108.181	F2	C1	C5	108.181
H3	C1	C4	110.320	H3	C1	C5	110.320
C4	C1	C5	113.389	H7	C5	H9	108.693
H7	C5	H11	108.730	H8	C4	H10	108.836
H9	C5	H11	108.836

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

using model chemistry: MP2=FULL/Def2TZVPP

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/Def2TZVPP

States and conformations

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