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	hartrees
Energy at 0K	-217.352878
Energy at 298.15K	-217.360606
HF Energy	-217.352878
Nuclear repulsion energy	133.627846

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3064	3064	9.21
2	A'	3055	3055	21.65
3	A'	2971	2971	6.98
4	A'	2937	2937	22.35
5	A'	1432	1432	9.76
6	A'	1412	1412	10.69
7	A'	1338	1338	29.42
8	A'	1304	1304	6.77
9	A'	1155	1155	16.78
10	A'	1118	1118	66.17
11	A'	937	937	29.34
12	A'	831	831	10.77
13	A'	462	462	2.42
14	A'	342	342	1.30
15	A'	249	249	0.02
16	A"	3063	3063	8.44
17	A"	3050	3050	0.25
18	A"	2968	2968	7.25
19	A"	1403	1403	0.01
20	A"	1400	1400	0.10
21	A"	1343	1343	47.39
22	A"	1305	1305	1.36
23	A"	1147	1147	10.25
24	A"	901	901	0.15
25	A"	886	886	2.03
26	A"	398	398	5.79
27	A"	208	208	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.278	0.241	0.000
F2	-0.865	1.033	0.000
H3	1.133	0.942	0.000
C4	0.278	-0.578	1.249
C5	0.278	-0.578	-1.249
H6	1.197	-1.175	1.318
H7	1.197	-1.175	-1.318
H8	0.215	0.064	2.138
H9	0.215	0.064	-2.138
H10	-0.582	-1.264	1.249
H11	-0.582	-1.264	-1.249

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3906	1.1061	1.4939	1.4939	2.1421	2.1421	2.1459	2.1459	2.1366	2.1366
F2	1.3906		2.0005	2.3372	2.3372	3.2967	3.2967	2.5836	2.5836	2.6301	2.6301
H3	1.1061	2.0005		2.1456	2.1456	2.4949	2.4949	2.4868	2.4868	3.0610	3.0610
C4	1.4939	2.3372	2.1456		2.4989	1.0989	2.7917	1.0977	3.4480	1.0999	2.7300
C5	1.4939	2.3372	2.1456	2.4989		2.7917	1.0989	3.4480	1.0977	2.7300	1.0999
H6	2.1421	3.2967	2.4949	1.0989	2.7917		2.6355	1.7815	3.8002	1.7829	3.1246
H7	2.1421	3.2967	2.4949	2.7917	1.0989	2.6355		3.8002	1.7815	3.1246	1.7829
H8	2.1459	2.5836	2.4868	1.0977	3.4480	1.7815	3.8002		4.2753	1.7855	3.7242
H9	2.1459	2.5836	2.4868	3.4480	1.0977	3.8002	1.7815	4.2753		3.7242	1.7855
H10	2.1366	2.6301	3.0610	1.0999	2.7300	1.7829	3.1246	1.7855	3.7242		2.4984
H11	2.1366	2.6301	3.0610	2.7300	1.0999	3.1246	1.7829	3.7242	1.7855	2.4984

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.871	C1	C4	H10	109.990
C1	C5	H7	110.487	C1	C5	H9	110.871
C1	C5	H11	109.990	F2	C1	H3	105.944
F2	C1	C4	108.190	F2	C1	C5	108.190
H3	C1	C4	110.336	H3	C1	C5	110.336
C4	C1	C5	113.516	H7	C5	H9	108.396
H7	C5	H11	108.351	H8	C4	H10	108.678
H9	C5	H11	108.678

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

using model chemistry: LSDA/6-311+G(3df,2p)

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	0.189
2	F	-0.407
3	H	0.166
4	C	-0.509
5	C	-0.509
6	H	0.183
7	H	0.183
8	H	0.166
9	H	0.166
10	H	0.185
11	H	0.185

	x	y	z	Total
	1.503	-1.206	0.000	1.927
CHELPG
AIM
ESP

	x	y	z
x	5.977	-0.097	0.000
y	-0.097	6.137	0.000
z	0.000	0.000	6.813

<r²>	84.610
(<r²>)^1/2	9.198

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

using model chemistry: LSDA/6-311+G(3df,2p)

States and conformations

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