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	hartrees
Energy at 0K	-218.299129
Energy at 298.15K	-218.306970
HF Energy	-218.299129
Nuclear repulsion energy	132.534610

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3153	3016	29.64
2	A'	3148	3012	49.84
3	A'	3067	2934	7.70
4	A'	3047	2915	41.53
5	A'	1537	1470	6.09
6	A'	1517	1451	5.59
7	A'	1440	1377	18.66
8	A'	1398	1337	17.14
9	A'	1211	1159	12.39
10	A'	1179	1128	52.19
11	A'	977	934	35.28
12	A'	839	802	6.25
13	A'	476	455	2.58
14	A'	349	334	1.02
15	A'	264	252	0.09
16	A"	3151	3015	16.62
17	A"	3141	3005	0.00
18	A"	3063	2930	15.67
19	A"	1511	1446	0.01
20	A"	1505	1440	0.04
21	A"	1434	1371	30.39
22	A"	1390	1330	4.38
23	A"	1176	1125	13.59
24	A"	952	911	0.03
25	A"	937	896	0.79
26	A"	405	388	6.07
27	A"	223	213	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.279	0.243	0.000
F2	-0.868	1.043	0.000
H3	1.138	0.928	0.000
C4	0.279	-0.584	1.271
C5	0.279	-0.584	-1.271
H6	1.189	-1.189	1.341
H7	1.189	-1.189	-1.341
H8	0.228	0.066	2.150
H9	0.228	0.066	-2.150
H10	-0.586	-1.257	1.289
H11	-0.586	-1.257	-1.289

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3980	1.0992	1.5167	1.5167	2.1629	2.1629	2.1582	2.1582	2.1581	2.1581
F2	1.3980		2.0097	2.3619	2.3619	3.3185	3.3185	2.6037	2.6037	2.6510	2.6510
H3	1.0992	2.0097		2.1545	2.1545	2.5064	2.5064	2.4893	2.4893	3.0670	3.0670
C4	1.5167	2.3619	2.1545		2.5425	1.0955	2.8315	1.0945	3.4832	1.0956	2.7844
C5	1.5167	2.3619	2.1545	2.5425		2.8315	1.0955	3.4832	1.0945	2.7844	1.0956
H6	2.1629	3.3185	2.5064	1.0955	2.8315		2.6813	1.7764	3.8323	1.7775	3.1733
H7	2.1629	3.3185	2.5064	2.8315	1.0955	2.6813		3.8323	1.7764	3.1733	1.7775
H8	2.1582	2.6037	2.4893	1.0945	3.4832	1.7764	3.8323		4.3007	1.7759	3.7733
H9	2.1582	2.6037	2.4893	3.4832	1.0945	3.8323	1.7764	4.3007		3.7733	1.7759
H10	2.1581	2.6510	3.0670	1.0956	2.7844	1.7775	3.1733	1.7759	3.7733		2.5772
H11	2.1581	2.6510	3.0670	2.7844	1.0956	3.1733	1.7775	3.7733	1.7759	2.5772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.441	C1	C4	H10	110.367
C1	C5	H7	110.752	C1	C5	H9	110.441
C1	C5	H11	110.367	F2	C1	H3	106.569
F2	C1	C4	108.183	F2	C1	C5	108.183
H3	C1	C4	109.864	H3	C1	C5	109.864
C4	C1	C5	113.890	H7	C5	H9	108.411
H7	C5	H11	108.431	H8	C4	H10	108.366
H9	C5	H11	108.366

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

using model chemistry: B3PW91/6-31G*

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	0.194
2	F	-0.327
3	H	0.146
4	C	-0.536
5	C	-0.536
6	H	0.167
7	H	0.167
8	H	0.184
9	H	0.184
10	H	0.178
11	H	0.178

	x	y	z	Total
	1.322	-1.073	0.000	1.702
CHELPG
AIM
ESP

	x	y	z
x	4.797	-0.026	0.000
y	-0.026	4.839	0.000
z	0.000	0.000	5.323

<r²>	85.484
(<r²>)^1/2	9.246

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

using model chemistry: B3PW91/6-31G*

States and conformations

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