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	hartrees
Energy at 0K	-218.317535
Energy at 298.15K	-218.325194
HF Energy	-218.317535
Nuclear repulsion energy	130.526110

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3046	3041	34.34
2	A'	3033	3027	46.55
3	A'	2968	2962	23.28
4	A'	2964	2959	11.61
5	A'	1444	1441	6.98
6	A'	1425	1422	4.96
7	A'	1355	1352	12.60
8	A'	1292	1290	9.56
9	A'	1150	1148	7.63
10	A'	1078	1076	38.78
11	A'	879	877	49.43
12	A'	772	771	30.41
13	A'	458	458	3.05
14	A'	345	344	1.36
15	A'	238	237	0.05
16	A"	3044	3038	17.92
17	A"	3026	3020	1.35
18	A"	2959	2953	14.21
19	A"	1420	1417	0.00
20	A"	1414	1412	0.01
21	A"	1349	1346	25.51
22	A"	1319	1316	2.02
23	A"	1119	1117	15.28
24	A"	907	906	0.27
25	A"	894	892	0.03
26	A"	389	389	6.52
27	A"	195	195	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.290	0.233	0.000
F2	-0.903	1.054	0.000
H3	1.129	0.956	0.000
C4	0.290	-0.589	1.288
C5	0.290	-0.589	-1.288
H6	1.221	-1.182	1.357
H7	1.221	-1.182	-1.357
H8	0.235	0.074	2.170
H9	0.235	0.074	-2.170
H10	-0.571	-1.282	1.309
H11	-0.571	-1.282	-1.309

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4482	1.1077	1.5280	1.5280	2.1706	2.1706	2.1763	2.1763	2.1791	2.1791
F2	1.4482		2.0340	2.4045	2.4045	3.3698	3.3698	2.6390	2.6390	2.6983	2.6983
H3	1.1077	2.0340		2.1796	2.1796	2.5346	2.5346	2.5072	2.5072	3.1002	3.1002
C4	1.5280	2.4045	2.1796		2.5765	1.1066	2.8663	1.1040	3.5213	1.1054	2.8222
C5	1.5280	2.4045	2.1796	2.5765		2.8663	1.1066	3.5213	1.1040	2.8222	1.1054
H6	2.1706	3.3698	2.5346	1.1066	2.8663		2.7134	1.7921	3.8712	1.7954	3.2132
H7	2.1706	3.3698	2.5346	2.8663	1.1066	2.7134		3.8712	1.7921	3.2132	1.7954
H8	2.1763	2.6390	2.5072	1.1040	3.5213	1.7921	3.8712		4.3396	1.7969	3.8192
H9	2.1763	2.6390	2.5072	3.5213	1.1040	3.8712	1.7921	4.3396		3.8192	1.7969
H10	2.1791	2.6983	3.1002	1.1054	2.8222	1.7954	3.2132	1.7969	3.8192		2.6171
H11	2.1791	2.6983	3.1002	2.8222	1.1054	3.2132	1.7954	3.8192	1.7969	2.6171

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.518	C1	C4	H10	110.655
C1	C5	H7	109.921	C1	C5	H9	110.518
C1	C5	H11	110.655	F2	C1	H3	104.681
F2	C1	C4	107.757	F2	C1	C5	107.757
H3	C1	C4	110.561	H3	C1	C5	110.561
C4	C1	C5	114.933	H7	C5	H9	108.324
H7	C5	H11	108.522	H8	C4	H10	108.840
H9	C5	H11	108.840

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	1.119
2	F	-0.512
3	H	-0.593
4	C	0.879
5	C	0.879
6	H	-0.283
7	H	-0.283
8	H	-0.325
9	H	-0.325
10	H	-0.278
11	H	-0.278

	x	y	z	Total
	1.654	-1.305	0.000	2.107
CHELPG
AIM
ESP

	x	y	z
x	6.225	-0.196	0.000
y	-0.196	6.388	0.000
z	0.000	0.000	7.087

<r²>	88.376
(<r²>)^1/2	9.401

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

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

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