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	hartrees
Energy at 0K	-217.846111
Energy at 298.15K	-217.853971
HF Energy	-217.147964
Nuclear repulsion energy	131.650625

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3147	3035	30.47
2	A'	3138	3026	47.11
3	A'	3077	2968	20.76
4	A'	3052	2944	9.59
5	A'	1504	1451	5.11
6	A'	1485	1433	4.65
7	A'	1418	1368	18.34
8	A'	1374	1325	10.81
9	A'	1204	1161	11.88
10	A'	1157	1116	50.42
11	A'	970	936	40.54
12	A'	832	802	13.90
13	A'	477	460	3.43
14	A'	354	341	0.90
15	A'	258	249	0.09
16	A"	3144	3032	18.62
17	A"	3131	3019	0.23
18	A"	3049	2941	13.04
19	A"	1480	1428	0.00
20	A"	1477	1424	0.17
21	A"	1424	1373	25.28
22	A"	1375	1327	0.66
23	A"	1179	1137	10.58
24	A"	944	911	0.04
25	A"	930	897	0.32
26	A"	410	396	7.22
27	A"	213	205	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.284	0.244	0.000
F2	-0.884	1.045	0.000
H3	1.132	0.951	0.000
C4	0.284	-0.587	1.277
C5	0.284	-0.587	-1.277
H6	1.207	-1.189	1.335
H7	1.207	-1.189	-1.335
H8	0.235	0.067	2.162
H9	0.235	0.067	-2.162
H10	-0.584	-1.268	1.290
H11	-0.584	-1.268	-1.290

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4159	1.1044	1.5236	1.5236	2.1649	2.1649	2.1701	2.1701	2.1683	2.1683
F2	1.4159		2.0175	2.3786	2.3786	3.3381	3.3381	2.6236	2.6236	2.6653	2.6653
H3	1.1044	2.0175		2.1717	2.1717	2.5232	2.5232	2.5023	2.5023	3.0873	3.0873
C4	1.5236	2.3786	2.1717		2.5545	1.1036	2.8353	1.1015	3.5016	1.1030	2.7941
C5	1.5236	2.3786	2.1717	2.5545		2.8353	1.1036	3.5016	1.1015	2.7941	1.1030
H6	2.1649	3.3381	2.5232	1.1036	2.8353		2.6701	1.7906	3.8410	1.7933	3.1787
H7	2.1649	3.3381	2.5232	2.8353	1.1036	2.6701		3.8410	1.7906	3.1787	1.7933
H8	2.1701	2.6236	2.5023	1.1015	3.5016	1.7906	3.8410		4.3246	1.7927	3.7908
H9	2.1701	2.6236	2.5023	3.5016	1.1015	3.8410	1.7906	4.3246		3.7908	1.7927
H10	2.1683	2.6653	3.0873	1.1030	2.7941	1.7933	3.1787	1.7927	3.7908		2.5798
H11	2.1683	2.6653	3.0873	2.7941	1.1030	3.1787	1.7933	3.7908	1.7927	2.5798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.477	C1	C4	H10	110.250
C1	C5	H7	109.949	C1	C5	H9	110.477
C1	C5	H11	110.250	F2	C1	H3	105.696
F2	C1	C4	107.978	F2	C1	C5	107.978
H3	C1	C4	110.437	H3	C1	C5	110.437
C4	C1	C5	113.922	H7	C5	H9	108.586
H7	C5	H11	108.722	H8	C4	H10	108.812
H9	C5	H11	108.812

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

using model chemistry: CCD/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: CCD/aug-cc-pVDZ

States and conformations

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