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	hartrees
Energy at 0K	-218.299206
Energy at 298.15K	-218.307016
HF Energy	-218.299206
Nuclear repulsion energy	132.766074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	3034	27.23
2	A'	3164	3027	40.97
3	A'	3081	2947	27.51
4	A'	3078	2944	9.46
5	A'	1513	1447	8.54
6	A'	1494	1429	7.79
7	A'	1421	1359	23.81
8	A'	1370	1311	14.46
9	A'	1199	1147	12.15
10	A'	1156	1106	63.06
11	A'	961	919	45.91
12	A'	835	799	14.02
13	A'	470	450	3.28
14	A'	347	332	0.88
15	A'	254	243	0.05
16	A"	3170	3032	14.15
17	A"	3158	3021	0.35
18	A"	3074	2941	15.97
19	A"	1488	1424	0.04
20	A"	1484	1419	0.01
21	A"	1420	1359	35.58
22	A"	1372	1313	1.40
23	A"	1175	1124	13.17
24	A"	943	902	0.00
25	A"	930	889	0.99
26	A"	404	387	7.10
27	A"	213	204	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.282	0.239	0.000
F2	-0.876	1.037	0.000
H3	1.122	0.941	0.000
C4	0.282	-0.581	1.268
C5	0.282	-0.581	-1.268
H6	1.197	-1.173	1.335
H7	1.197	-1.173	-1.335
H8	0.224	0.066	2.144
H9	0.224	0.066	-2.144
H10	-0.573	-1.261	1.280
H11	-0.573	-1.261	-1.280

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4058	1.0948	1.5099	1.5099	2.1485	2.1485	2.1513	2.1513	2.1498	2.1498
F2	1.4058		2.0002	2.3590	2.3590	3.3113	3.3113	2.5977	2.5977	2.6484	2.6484
H3	1.0948	2.0002		2.1518	2.1518	2.5019	2.5019	2.4832	2.4832	3.0597	3.0597
C4	1.5099	2.3590	2.1518		2.5351	1.0922	2.8219	1.0907	3.4724	1.0920	2.7721
C5	1.5099	2.3590	2.1518	2.5351		2.8219	1.0922	3.4724	1.0907	2.7721	1.0920
H6	2.1485	3.3113	2.5019	1.0922	2.8219		2.6706	1.7707	3.8189	1.7725	3.1592
H7	2.1485	3.3113	2.5019	2.8219	1.0922	2.6706		3.8189	1.7707	3.1592	1.7725
H8	2.1513	2.5977	2.4832	1.0907	3.4724	1.7707	3.8189		4.2871	1.7726	3.7578
H9	2.1513	2.5977	2.4832	3.4724	1.0907	3.8189	1.7707	4.2871		3.7578	1.7726
H10	2.1498	2.6484	3.0597	1.0920	2.7721	1.7725	3.1592	1.7726	3.7578		2.5609
H11	2.1498	2.6484	3.0597	2.7721	1.0920	3.1592	1.7725	3.7578	1.7726	2.5609

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.592	C1	C4	H10	110.394
C1	C5	H7	110.283	C1	C5	H9	110.592
C1	C5	H11	110.394	F2	C1	H3	105.566
F2	C1	C4	107.955	F2	C1	C5	107.955
H3	C1	C4	110.389	H3	C1	C5	110.389
C4	C1	C5	114.165	H7	C5	H9	108.416
H7	C5	H11	108.485	H8	C4	H10	108.608
H9	C5	H11	108.608

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

using model chemistry: B1B95/6-31+G**

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	0.231
2	F	-0.320
3	H	0.142
4	C	-0.532
5	C	-0.532
6	H	0.160
7	H	0.160
8	H	0.175
9	H	0.175
10	H	0.170
11	H	0.170

	x	y	z	Total
	1.671	-1.315	0.000	2.126
CHELPG
AIM
ESP

	x	y	z
x	5.337	-0.104	0.000
y	-0.104	5.438	0.000
z	0.000	0.000	5.931

<r²>	85.575
(<r²>)^1/2	9.251

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

using model chemistry: B1B95/6-31+G**

States and conformations

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