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	hartrees
Energy at 0K	-217.810418
Energy at 298.15K	-217.818296
HF Energy	-217.133046
Nuclear repulsion energy	132.121113

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	3169	27.53
2	A'	3165	3165	47.61
3	A'	3076	3076	8.33
4	A'	3071	3071	37.68
5	A'	1512	1512	4.20
6	A'	1491	1491	5.07
7	A'	1428	1428	21.52
8	A'	1391	1391	11.87
9	A'	1212	1212	15.88
10	A'	1178	1178	44.34
11	A'	986	986	32.94
12	A'	842	842	10.05
13	A'	478	478	3.11
14	A'	352	352	0.60
15	A'	266	266	0.20
16	A"	3167	3167	16.18
17	A"	3158	3158	0.03
18	A"	3071	3071	15.89
19	A"	1488	1488	0.04
20	A"	1482	1482	0.37
21	A"	1433	1433	28.08
22	A"	1379	1379	2.54
23	A"	1183	1183	10.85
24	A"	948	948	0.06
25	A"	933	933	0.18
26	A"	409	409	7.09
27	A"	218	218	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.279	0.246	0.000
F2	-0.869	1.046	0.000
H3	1.145	0.935	0.000
C4	0.279	-0.587	1.273
C5	0.279	-0.587	-1.273
H6	1.195	-1.199	1.333
H7	1.195	-1.199	-1.333
H8	0.232	0.067	2.159
H9	0.232	0.067	-2.159
H10	-0.597	-1.259	1.287
H11	-0.597	-1.259	-1.287

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3989	1.1065	1.5214	1.5214	2.1694	2.1694	2.1671	2.1671	2.1650	2.1650
F2	1.3989		2.0166	2.3675	2.3675	3.3285	3.3285	2.6140	2.6140	2.6538	2.6538
H3	1.1065	2.0166		2.1648	2.1648	2.5168	2.5168	2.4993	2.4993	3.0824	3.0824
C4	1.5214	2.3675	2.1648		2.5464	1.1036	2.8300	1.1024	3.4945	1.1038	2.7881
C5	1.5214	2.3675	2.1648	2.5464		2.8300	1.1036	3.4945	1.1024	2.7881	1.1038
H6	2.1694	3.3285	2.5168	1.1036	2.8300		2.6670	1.7922	3.8379	1.7935	3.1753
H7	2.1694	3.3285	2.5168	2.8300	1.1036	2.6670		3.8379	1.7922	3.1753	1.7935
H8	2.1671	2.6140	2.4993	1.1024	3.4945	1.7922	3.8379		4.3184	1.7908	3.7847
H9	2.1671	2.6140	2.4993	3.4945	1.1024	3.8379	1.7922	4.3184		3.7847	1.7908
H10	2.1650	2.6538	3.0824	1.1038	2.7881	1.7935	3.1753	1.7908	3.7847		2.5743
H11	2.1650	2.6538	3.0824	2.7881	1.1038	3.1753	1.7935	3.7847	1.7908	2.5743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.342	C1	C4	H10	110.101
C1	C5	H7	110.454	C1	C5	H9	110.342
C1	C5	H11	110.101	F2	C1	H3	106.617
F2	C1	C4	108.250	F2	C1	C5	108.250
H3	C1	C4	109.921	H3	C1	C5	109.921
C4	C1	C5	113.615	H7	C5	H9	108.672
H7	C5	H11	108.689	H8	C4	H10	108.530
H9	C5	H11	108.530

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

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

States and conformations

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