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	hartrees
Energy at 0K	-218.064200
Energy at 298.15K	-218.071943
HF Energy	-218.064200
Nuclear repulsion energy	130.479320

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3093	3051	32.36
2	A'	3082	3040	44.48
3	A'	2995	2954	8.51
4	A'	2983	2942	37.30
5	A'	1509	1488	11.79
6	A'	1491	1470	7.90
7	A'	1418	1399	12.98
8	A'	1336	1318	16.97
9	A'	1197	1181	13.19
10	A'	1128	1113	30.15
11	A'	916	903	24.93
12	A'	800	789	14.76
13	A'	460	454	2.67
14	A'	343	338	1.72
15	A'	253	250	0.08
16	A"	3090	3048	16.36
17	A"	3075	3033	0.67
18	A"	2991	2950	14.05
19	A"	1487	1467	0.16
20	A"	1478	1458	0.99
21	A"	1403	1383	22.12
22	A"	1369	1350	15.88
23	A"	1162	1146	17.41
24	A"	953	940	0.52
25	A"	935	922	0.92
26	A"	375	370	7.69
27	A"	218	215	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.299	0.238	0.000
F2	-0.924	1.045	0.000
H3	1.136	0.962	0.000
C4	0.299	-0.586	1.281
C5	0.299	-0.586	-1.281
H6	1.227	-1.178	1.361
H7	1.227	-1.178	-1.361
H8	0.228	0.070	2.163
H9	0.228	0.070	-2.163
H10	-0.559	-1.278	1.290
H11	-0.559	-1.278	-1.290

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4654	1.1068	1.5230	1.5230	2.1722	2.1722	2.1711	2.1711	2.1678	2.1678
F2	1.4654		2.0617	2.4076	2.4076	3.3796	3.3796	2.6375	2.6375	2.6824	2.6824
H3	1.1068	2.0617		2.1764	2.1764	2.5379	2.5379	2.5103	2.5103	3.0914	3.0914
C4	1.5230	2.4076	2.1764		2.5622	1.1038	2.8622	1.1017	3.5072	1.1031	2.7975
C5	1.5230	2.4076	2.1764	2.5622		2.8622	1.1038	3.5072	1.1017	2.7975	1.1031
H6	2.1722	3.3796	2.5379	1.1038	2.8622		2.7217	1.7894	3.8702	1.7903	3.1978
H7	2.1722	3.3796	2.5379	2.8622	1.1038	2.7217		3.8702	1.7894	3.1978	1.7903
H8	2.1711	2.6375	2.5103	1.1017	3.5072	1.7894	3.8702		4.3269	1.7891	3.7898
H9	2.1711	2.6375	2.5103	3.5072	1.1017	3.8702	1.7894	4.3269		3.7898	1.7891
H10	2.1678	2.6824	3.0914	1.1031	2.7975	1.7903	3.1978	1.7891	3.7898		2.5796
H11	2.1678	2.6824	3.0914	2.7975	1.1031	3.1978	1.7903	3.7898	1.7891	2.5796

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.596	C1	C4	H10	110.252
C1	C5	H7	110.561	C1	C5	H9	110.596
C1	C5	H11	110.252	F2	C1	H3	105.715
F2	C1	C4	107.332	F2	C1	C5	107.332
H3	C1	C4	110.715	H3	C1	C5	110.715
C4	C1	C5	114.533	H7	C5	H9	108.456
H7	C5	H11	108.436	H8	C4	H10	108.473
H9	C5	H11	108.473

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

using model chemistry: PBEPBE/6-31G

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	0.130
2	F	-0.324
3	H	0.147
4	C	-0.465
5	C	-0.465
6	H	0.151
7	H	0.151
8	H	0.171
9	H	0.171
10	H	0.166
11	H	0.166

	x	y	z	Total
	1.649	-1.294	0.000	2.096
CHELPG
AIM
ESP

	x	y	z
x	4.879	-0.135	0.000
y	-0.135	4.875	0.000
z	0.000	0.000	5.301

<r²>	87.595
(<r²>)^1/2	9.359

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

using model chemistry: PBEPBE/6-31G

States and conformations

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