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	hartrees
Energy at 0K	-218.380370
Energy at 298.15K	-218.388084
HF Energy	-218.380370
Nuclear repulsion energy	131.302036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3034	3025	38.25
2	A'	3026	3017	47.10
3	A'	2965	2956	10.86
4	A'	2943	2934	28.79
5	A'	1475	1470	6.74
6	A'	1456	1452	5.35
7	A'	1381	1377	10.71
8	A'	1324	1320	10.31
9	A'	1164	1161	7.37
10	A'	1105	1101	36.37
11	A'	888	886	52.26
12	A'	785	783	15.38
13	A'	462	461	2.73
14	A'	344	343	1.09
15	A'	243	242	0.10
16	A"	3031	3022	19.15
17	A"	3018	3009	0.77
18	A"	2960	2952	14.63
19	A"	1452	1448	0.01
20	A"	1445	1441	0.26
21	A"	1366	1362	18.97
22	A"	1343	1339	8.34
23	A"	1119	1116	17.35
24	A"	920	917	0.48
25	A"	903	901	0.01
26	A"	393	392	6.44
27	A"	207	206	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.286	0.237	0.000
F2	-0.890	1.052	0.000
H3	1.131	0.941	0.000
C4	0.286	-0.588	1.283
C5	0.286	-0.588	-1.283
H6	1.207	-1.181	1.356
H7	1.207	-1.181	-1.356
H8	0.228	0.067	2.159
H9	0.228	0.067	-2.159
H10	-0.571	-1.273	1.301
H11	-0.571	-1.273	-1.301

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4310	1.1002	1.5251	1.5251	2.1667	2.1667	2.1668	2.1668	2.1687	2.1687
F2	1.4310		2.0240	2.3912	2.3912	3.3496	3.3496	2.6235	2.6235	2.6828	2.6828
H3	1.1002	2.0240		2.1675	2.1675	2.5191	2.5191	2.4984	2.4984	3.0803	3.0803
C4	1.5251	2.3912	2.1675		2.5660	1.0977	2.8570	1.0957	3.5047	1.0969	2.8067
C5	1.5251	2.3912	2.1675	2.5660		2.8570	1.0977	3.5047	1.0957	2.8067	1.0969
H6	2.1667	3.3496	2.5191	1.0977	2.8570		2.7113	1.7780	3.8563	1.7809	3.1975
H7	2.1667	3.3496	2.5191	2.8570	1.0977	2.7113		3.8563	1.7780	3.1975	1.7809
H8	2.1668	2.6235	2.4984	1.0957	3.5047	1.7780	3.8563		4.3188	1.7809	3.7954
H9	2.1668	2.6235	2.4984	3.5047	1.0957	3.8563	1.7780	4.3188		3.7954	1.7809
H10	2.1687	2.6828	3.0803	1.0969	2.8067	1.7809	3.1975	1.7809	3.7954		2.6011
H11	2.1687	2.6828	3.0803	2.8067	1.0969	3.1975	1.7809	3.7954	1.7809	2.6011

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.465	C1	C4	H10	110.547
C1	C5	H7	110.341	C1	C5	H9	110.465
C1	C5	H11	110.547	F2	C1	H3	105.445
F2	C1	C4	107.938	F2	C1	C5	107.938
H3	C1	C4	110.257	H3	C1	C5	110.257
C4	C1	C5	114.550	H7	C5	H9	108.314
H7	C5	H11	108.483	H8	C4	H10	108.624
H9	C5	H11	108.624

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

using model chemistry: BLYP/cc-pVTZ

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	0.214
2	F	-0.256
3	H	0.048
4	C	-0.268
5	C	-0.268
6	H	0.080
7	H	0.080
8	H	0.097
9	H	0.097
10	H	0.088
11	H	0.088

	x	y	z	Total
	1.458	-1.151	0.000	1.857
CHELPG
AIM
ESP

	x	y	z
x	5.662	-0.087	0.000
y	-0.087	5.800	0.000
z	0.000	0.000	6.544

<r²>	87.406
(<r²>)^1/2	9.349

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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