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	hartrees
Energy at 0K	-218.112696
Energy at 298.15K	-218.120436
HF Energy	-218.112696
Nuclear repulsion energy	131.773755

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3082	3040	24.65
2	A'	3076	3034	43.98
3	A'	2992	2951	8.52
4	A'	2952	2911	42.76
5	A'	1477	1457	4.82
6	A'	1456	1436	5.18
7	A'	1377	1358	15.83
8	A'	1341	1323	15.15
9	A'	1165	1149	10.56
10	A'	1131	1115	50.02
11	A'	936	923	33.01
12	A'	814	803	5.94
13	A'	462	456	2.23
14	A'	339	334	1.09
15	A'	258	254	0.07
16	A"	3081	3039	15.28
17	A"	3070	3028	0.00
18	A"	2989	2948	14.25
19	A"	1450	1430	0.01
20	A"	1444	1424	0.00
21	A"	1371	1352	30.30
22	A"	1332	1314	4.03
23	A"	1137	1121	13.61
24	A"	918	905	0.09
25	A"	901	888	0.75
26	A"	391	386	5.69
27	A"	219	216	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.281	0.244	0.000
F2	-0.877	1.048	0.000
H3	1.150	0.933	0.000
C4	0.281	-0.587	1.276
C5	0.281	-0.587	-1.276
H6	1.199	-1.193	1.348
H7	1.199	-1.193	-1.348
H8	0.226	0.066	2.161
H9	0.226	0.066	-2.161
H10	-0.586	-1.267	1.290
H11	-0.586	-1.267	-1.290

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4104	1.1086	1.5226	1.5226	2.1735	2.1735	2.1691	2.1691	2.1674	2.1674
F2	1.4104		2.0300	2.3756	2.3756	3.3393	3.3393	2.6179	2.6179	2.6657	2.6657
H3	1.1086	2.0300		2.1662	2.1662	2.5181	2.5181	2.5050	2.5050	3.0847	3.0847
C4	1.5226	2.3756	2.1662		2.5523	1.1021	2.8454	1.1009	3.4990	1.1023	2.7927
C5	1.5226	2.3756	2.1662	2.5523		2.8454	1.1021	3.4990	1.1009	2.7927	1.1023
H6	2.1735	3.3393	2.5181	1.1021	2.8454		2.6963	1.7864	3.8529	1.7876	3.1861
H7	2.1735	3.3393	2.5181	2.8454	1.1021	2.6963		3.8529	1.7864	3.1861	1.7876
H8	2.1691	2.6179	2.5050	1.1009	3.4990	1.7864	3.8529		4.3222	1.7872	3.7874
H9	2.1691	2.6179	2.5050	3.4990	1.1009	3.8529	1.7864	4.3222		3.7874	1.7872
H10	2.1674	2.6657	3.0847	1.1023	2.7927	1.7876	3.1861	1.7872	3.7874		2.5798
H11	2.1674	2.6657	3.0847	2.7927	1.1023	3.1861	1.7876	3.7874	1.7872	2.5798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.513	C1	C4	H10	110.295
C1	C5	H7	110.783	C1	C5	H9	110.513
C1	C5	H11	110.295	F2	C1	H3	106.777
F2	C1	C4	108.123	F2	C1	C5	108.123
H3	C1	C4	109.830	H3	C1	C5	109.830
C4	C1	C5	113.886	H7	C5	H9	108.372
H7	C5	H11	108.372	H8	C4	H10	108.431
H9	C5	H11	108.431

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

using model chemistry: PBEPBE/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	0.195
2	F	-0.297
3	H	0.097
4	C	-0.381
5	C	-0.381
6	H	0.119
7	H	0.119
8	H	0.134
9	H	0.134
10	H	0.130
11	H	0.130

	x	y	z	Total
	1.226	-1.020	0.000	1.595
CHELPG
AIM
ESP

	x	y	z
x	4.988	-0.041	0.000
y	-0.041	5.053	0.000
z	0.000	0.000	5.618

<r²>	86.284
(<r²>)^1/2	9.289

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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