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	hartrees
Energy at 0K	-45.358010
Energy at 298.15K	-45.365727
HF Energy	-45.358010
Nuclear repulsion energy	76.415882

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3132	3025	78.27
2	A'	3124	3017	79.95
3	A'	3058	2953	33.64
4	A'	3052	2947	17.76
5	A'	1509	1457	7.78
6	A'	1488	1437	5.60
7	A'	1415	1367	19.80
8	A'	1356	1309	16.31
9	A'	1186	1145	12.92
10	A'	1137	1098	64.71
11	A'	941	908	44.64
12	A'	811	783	11.88
13	A'	456	441	2.85
14	A'	339	327	1.22
15	A'	250	241	0.09
16	A"	3126	3019	23.14
17	A"	3117	3010	2.91
18	A"	3047	2943	21.80
19	A"	1486	1435	0.01
20	A"	1478	1427	0.03
21	A"	1416	1367	27.24
22	A"	1356	1310	4.73
23	A"	1151	1111	13.14
24	A"	931	899	0.11
25	A"	915	884	1.67
26	A"	392	379	6.65
27	A"	210	203	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.286	0.249	0.000
F2	-0.890	1.050	0.000
H3	1.135	0.957	0.000
C4	0.286	-0.591	1.287
C5	0.286	-0.591	-1.287
H6	1.210	-1.195	1.351
H7	1.210	-1.195	-1.351
H8	0.233	0.063	2.174
H9	0.233	0.063	-2.174
H10	-0.581	-1.273	1.299
H11	-0.581	-1.273	-1.299

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4229	1.1054	1.5373	1.5373	2.1821	2.1821	2.1829	2.1829	2.1814	2.1814
F2	1.4229		2.0268	2.3945	2.3945	3.3572	3.3572	2.6388	2.6388	2.6798	2.6798
H3	1.1054	2.0268		2.1852	2.1852	2.5420	2.5420	2.5182	2.5182	3.0999	3.0999
C4	1.5373	2.3945	2.1852		2.5750	1.1051	2.8595	1.1028	3.5232	1.1039	2.8123
C5	1.5373	2.3945	2.1852	2.5750		2.8595	1.1051	3.5232	1.1028	2.8123	1.1039
H6	2.1821	3.3572	2.5420	1.1051	2.8595		2.7012	1.7925	3.8677	1.7934	3.1992
H7	2.1821	3.3572	2.5420	2.8595	1.1051	2.7012		3.8677	1.7925	3.1992	1.7934
H8	2.1829	2.6388	2.5182	1.1028	3.5232	1.7925	3.8677		4.3485	1.7926	3.8095
H9	2.1829	2.6388	2.5182	3.5232	1.1028	3.8677	1.7925	4.3485		3.8095	1.7926
H10	2.1814	2.6798	3.0999	1.1039	2.8123	1.7934	3.1992	1.7926	3.8095		2.5983
H11	2.1814	2.6798	3.0999	2.8123	1.1039	3.1992	1.7934	3.8095	1.7926	2.5983

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.467	C1	C4	H10	110.283
C1	C5	H7	110.269	C1	C5	H9	110.467
C1	C5	H11	110.283	F2	C1	H3	105.891
F2	C1	C4	107.914	F2	C1	C5	107.914
H3	C1	C4	110.496	H3	C1	C5	110.496
C4	C1	C5	113.757	H7	C5	H9	108.555
H7	C5	H11	108.558	H8	C4	H10	108.654
H9	C5	H11	108.654

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

using model chemistry: B3LYP/CEP-31G*

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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Number	Element	Mulliken
1	C	0.067
2	F	-0.254
3	H	0.146
4	C	-0.445
5	C	-0.445
6	H	0.132
7	H	0.132
8	H	0.182
9	H	0.182
10	H	0.152
11	H	0.152

	x	y	z	Total
	1.669	-1.323	0.000	2.130
CHELPG
AIM
ESP

	x	y	z
x	4.639	-0.130	0.000
y	-0.130	4.813	0.000
z	0.000	0.000	5.424

<r²>	74.854
(<r²>)^1/2	8.652

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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