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	hartrees
Energy at 0K	-218.231271
Energy at 298.15K
HF Energy	-218.006779
Nuclear repulsion energy	132.566537

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3151	3151	44.40
2	A'	3145	3145	55.33
3	A'	3076	3076	28.55
4	A'	3069	3069	10.85
5	A'	1544	1544	9.75
6	A'	1525	1525	6.64
7	A'	1449	1449	19.44
8	A'	1403	1403	13.06
9	A'	1222	1222	9.04
10	A'	1171	1171	45.17
11	A'	963	963	46.62
12	A'	833	833	12.49
13	A'	482	482	3.35
14	A'	357	357	0.85
15	A'	264	264	0.18
16	A"	3148	3148	20.37
17	A"	3137	3137	0.06
18	A"	3064	3064	16.10
19	A"	1519	1519	0.02
20	A"	1513	1513	0.19
21	A"	1442	1442	33.65
22	A"	1401	1401	2.99
23	A"	1182	1182	13.67
24	A"	958	958	0.11
25	A"	948	948	0.34
26	A"	412	412	7.37
27	A"	220	220	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.283	0.241	0.000
F2	-0.878	1.037	0.000
H3	1.124	0.941	0.000
C4	0.283	-0.582	1.271
C5	0.283	-0.582	-1.271
H6	1.192	-1.182	1.345
H7	1.192	-1.182	-1.345
H8	0.227	0.068	2.145
H9	0.227	0.068	-2.145
H10	-0.578	-1.253	1.287
H11	-0.578	-1.253	-1.287

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4069	1.0941	1.5144	1.5144	2.1587	2.1587	2.1526	2.1526	2.1520	2.1520
F2	1.4069		2.0039	2.3626	2.3626	3.3187	3.3187	2.5997	2.5997	2.6440	2.6440
H3	1.0941	2.0039		2.1545	2.1545	2.5135	2.5135	2.4831	2.4831	3.0606	3.0606
C4	1.5144	2.3626	2.1545		2.5423	1.0921	2.8337	1.0905	3.4778	1.0917	2.7815
C5	1.5144	2.3626	2.1545	2.5423		2.8337	1.0921	3.4778	1.0905	2.7815	1.0917
H6	2.1587	3.3187	2.5135	1.0921	2.8337		2.6894	1.7705	3.8304	1.7726	3.1727
H7	2.1587	3.3187	2.5135	2.8337	1.0921	2.6894		3.8304	1.7705	3.1727	1.7726
H8	2.1526	2.5997	2.4831	1.0905	3.4778	1.7705	3.8304		4.2898	1.7693	3.7649
H9	2.1526	2.5997	2.4831	3.4778	1.0905	3.8304	1.7705	4.2898		3.7649	1.7693
H10	2.1520	2.6440	3.0606	1.0917	2.7815	1.7726	3.1727	1.7693	3.7649		2.5744
H11	2.1520	2.6440	3.0606	2.7815	1.0917	3.1727	1.7726	3.7649	1.7693	2.5744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.393	C1	C4	H10	110.282
C1	C5	H7	110.793	C1	C5	H9	110.393
C1	C5	H11	110.282	F2	C1	H3	105.823
F2	C1	C4	107.895	F2	C1	C5	107.895
H3	C1	C4	110.337	H3	C1	C5	110.337
C4	C1	C5	114.156	H7	C5	H9	108.425
H7	C5	H11	108.532	H8	C4	H10	108.344
H9	C5	H11	108.344

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

using model chemistry: B2PLYP=FULLultrafine/6-311G*

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

using model chemistry: B2PLYP=FULLultrafine/6-311G*

States and conformations

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