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	hartrees
Energy at 0K	-218.437880
Energy at 298.15K	-218.445714
HF Energy	-218.437880
Nuclear repulsion energy	132.255230

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3113	3008	49.48
2	A'	3108	3003	61.37
3	A'	3040	2938	9.33
4	A'	3036	2934	31.86
5	A'	1528	1477	9.22
6	A'	1508	1457	6.91
7	A'	1433	1384	17.14
8	A'	1385	1339	12.96
9	A'	1205	1165	8.91
10	A'	1156	1117	45.81
11	A'	944	912	50.89
12	A'	821	794	12.48
13	A'	477	461	3.20
14	A'	353	341	0.91
15	A'	257	249	0.17
16	A"	3110	3005	22.72
17	A"	3099	2994	0.08
18	A"	3035	2933	17.32
19	A"	1504	1453	0.01
20	A"	1496	1446	0.22
21	A"	1423	1375	30.72
22	A"	1385	1339	4.47
23	A"	1164	1125	15.00
24	A"	949	917	0.30
25	A"	937	906	0.16
26	A"	407	393	7.29
27	A"	217	209	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.283	0.239	0.000
F2	-0.878	1.041	0.000
H3	1.126	0.939	0.000
C4	0.283	-0.583	1.275
C5	0.283	-0.583	-1.275
H6	1.195	-1.182	1.353
H7	1.195	-1.182	-1.353
H8	0.226	0.069	2.149
H9	0.226	0.069	-2.149
H10	-0.577	-1.259	1.295
H11	-0.577	-1.259	-1.295

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4109	1.0959	1.5171	1.5171	2.1635	2.1635	2.1568	2.1568	2.1587	2.1587
F2	1.4109		2.0070	2.3687	2.3687	3.3268	3.3268	2.6045	2.6045	2.6563	2.6563
H3	1.0959	2.0070		2.1573	2.1573	2.5167	2.5167	2.4875	2.4875	3.0671	3.0671
C4	1.5171	2.3687	2.1573		2.5500	1.0937	2.8451	1.0921	3.4863	1.0933	2.7931
C5	1.5171	2.3687	2.1573	2.5500		2.8451	1.0937	3.4863	1.0921	2.7931	1.0933
H6	2.1635	3.3268	2.5167	1.0937	2.8451		2.7052	1.7714	3.8428	1.7738	3.1866
H7	2.1635	3.3268	2.5167	2.8451	1.0937	2.7052		3.8428	1.7714	3.1866	1.7738
H8	2.1568	2.6045	2.4875	1.0921	3.4863	1.7714	3.8428		4.2987	1.7707	3.7778
H9	2.1568	2.6045	2.4875	3.4863	1.0921	3.8428	1.7714	4.2987		3.7778	1.7707
H10	2.1587	2.6563	3.0671	1.0933	2.7931	1.7738	3.1866	1.7707	3.7778		2.5906
H11	2.1587	2.6563	3.0671	2.7931	1.0933	3.1866	1.7738	3.7778	1.7707	2.5906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.443	C1	C4	H10	110.520
C1	C5	H7	110.884	C1	C5	H9	110.443
C1	C5	H11	110.520	F2	C1	H3	105.691
F2	C1	C4	107.932	F2	C1	C5	107.932
H3	C1	C4	110.253	H3	C1	C5	110.253
C4	C1	C5	114.361	H7	C5	H9	108.273
H7	C5	H11	108.397	H8	C4	H10	108.239
H9	C5	H11	108.239

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

using model chemistry: B3LYPultrafine/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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Number	Element	Mulliken
1	C	0.105
2	F	-0.294
3	H	0.182
4	C	-0.632
5	C	-0.632
6	H	0.203
7	H	0.203
8	H	0.221
9	H	0.221
10	H	0.211
11	H	0.211

	x	y	z	Total
	1.503	-1.150	0.000	1.893
CHELPG
AIM
ESP

	x	y	z
x	5.071	-0.028	0.000
y	-0.028	5.147	0.000
z	0.000	0.000	5.758

<r²>	86.285
(<r²>)^1/2	9.289

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

using model chemistry: B3LYPultrafine/6-311G*

States and conformations

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