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	hartrees
Energy at 0K	-216.091644
Energy at 298.15K	-216.099429
HF Energy	-216.091644
Nuclear repulsion energy	132.404940

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3092	3041	13.82
2	A'	3084	3034	21.23
3	A'	2998	2949	5.42
4	A'	2942	2894	36.23
5	A'	1514	1489	13.75
6	A'	1489	1465	11.54
7	A'	1405	1382	24.41
8	A'	1360	1338	22.89
9	A'	1203	1184	21.77
10	A'	1166	1147	36.59
11	A'	975	959	12.04
12	A'	842	828	2.06
13	A'	455	448	1.56
14	A'	341	335	1.99
15	A'	265	261	0.08
16	A"	3089	3038	6.68
17	A"	3078	3028	2.27
18	A"	2995	2946	5.60
19	A"	1483	1459	0.51
20	A"	1473	1449	1.31
21	A"	1388	1365	35.10
22	A"	1365	1342	21.27
23	A"	1164	1145	18.01
24	A"	953	937	0.84
25	A"	931	915	1.98
26	A"	361	355	5.90
27	A"	223	219	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.285	0.255	0.000
F2	-0.886	1.047	0.000
H3	1.173	0.923	0.000
C4	0.285	-0.588	1.251
C5	0.285	-0.588	-1.251
H6	1.199	-1.204	1.305
H7	1.199	-1.204	-1.305
H8	0.229	0.051	2.148
H9	0.229	0.051	-2.148
H10	-0.595	-1.255	1.239
H11	-0.595	-1.255	-1.239

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4136	1.1110	1.5088	1.5088	2.1597	2.1597	2.1584	2.1584	2.1428	2.1428
F2	1.4136		2.0621	2.3687	2.3687	3.3336	3.3336	2.6169	2.6169	2.6311	2.6311
H3	1.1110	2.0621		2.1534	2.1534	2.4950	2.4950	2.5030	2.5030	3.0670	3.0670
C4	1.5088	2.3687	2.1534		2.5024	1.1028	2.7834	1.1028	3.4593	1.1044	2.7246
C5	1.5088	2.3687	2.1534	2.5024		2.7834	1.1028	3.4593	1.1028	2.7246	1.1044
H6	2.1597	3.3336	2.4950	1.1028	2.7834		2.6098	1.7960	3.7996	1.7957	3.1135
H7	2.1597	3.3336	2.4950	2.7834	1.1028	2.6098		3.7996	1.7960	3.1135	1.7957
H8	2.1584	2.6169	2.5030	1.1028	3.4593	1.7960	3.7996		4.2960	1.7918	3.7230
H9	2.1584	2.6169	2.5030	3.4593	1.1028	3.7996	1.7960	4.2960		3.7230	1.7918
H10	2.1428	2.6311	3.0670	1.1044	2.7246	1.7957	3.1135	1.7918	3.7230		2.4790
H11	2.1428	2.6311	3.0670	2.7246	1.1044	3.1135	1.7957	3.7230	1.7918	2.4790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.515	C1	C4	H10	109.194
C1	C5	H7	110.617	C1	C5	H9	110.515
C1	C5	H11	109.194	F2	C1	H3	108.945
F2	C1	C4	108.252	F2	C1	C5	108.252
H3	C1	C4	109.636	H3	C1	C5	109.636
C4	C1	C5	112.053	H7	C5	H9	109.033
H7	C5	H11	108.886	H8	C4	H10	108.552
H9	C5	H11	108.552

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

using model chemistry: LSDA/3-21G

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	0.015
2	F	-0.260
3	H	0.203
4	C	-0.647
5	C	-0.647
6	H	0.212
7	H	0.212
8	H	0.231
9	H	0.231
10	H	0.225
11	H	0.225

	x	y	z	Total
	1.265	-1.042	0.000	1.639
CHELPG
AIM
ESP

	x	y	z
x	4.623	-0.038	0.000
y	-0.038	4.580	0.000
z	0.000	0.000	5.031

<r²>	85.233
(<r²>)^1/2	9.232

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

using model chemistry: LSDA/3-21G

States and conformations

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