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	hartrees
Energy at 0K	-218.103705
Energy at 298.15K	-218.111561
HF Energy	-218.103705
Nuclear repulsion energy	131.604998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3179	3041	31.27
2	A'	3170	3033	41.33
3	A'	3089	2955	27.80
4	A'	3079	2945	10.26
5	A'	1554	1487	13.43
6	A'	1536	1469	8.57
7	A'	1469	1405	16.33
8	A'	1389	1329	18.05
9	A'	1241	1187	14.30
10	A'	1175	1124	35.07
11	A'	962	920	26.24
12	A'	834	798	14.10
13	A'	476	455	3.22
14	A'	355	339	1.70
15	A'	257	246	0.10
16	A"	3176	3038	15.17
17	A"	3163	3026	0.36
18	A"	3075	2942	13.16
19	A"	1532	1466	0.34
20	A"	1523	1457	0.99
21	A"	1454	1391	28.82
22	A"	1420	1359	11.70
23	A"	1206	1153	16.35
24	A"	987	944	0.14
25	A"	969	927	1.60
26	A"	391	374	8.50
27	A"	219	209	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.296	0.238	0.000
F2	-0.913	1.035	0.000
H3	1.124	0.957	0.000
C4	0.296	-0.581	1.272
C5	0.296	-0.581	-1.272
H6	1.215	-1.171	1.349
H7	1.215	-1.171	-1.349
H8	0.226	0.069	2.148
H9	0.226	0.069	-2.148
H10	-0.558	-1.266	1.280
H11	-0.558	-1.266	-1.280

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4481	1.0964	1.5126	1.5126	2.1566	2.1566	2.1556	2.1556	2.1516	2.1516
F2	1.4481		2.0384	2.3856	2.3856	3.3491	3.3491	2.6161	2.6161	2.6569	2.6569
H3	1.0964	2.0384		2.1605	2.1605	2.5215	2.5215	2.4914	2.4914	3.0671	3.0671
C4	1.5126	2.3856	2.1605		2.5433	1.0948	2.8393	1.0932	3.4814	1.0945	2.7767
C5	1.5126	2.3856	2.1605	2.5433		2.8393	1.0948	3.4814	1.0932	2.7767	1.0945
H6	2.1566	3.3491	2.5215	1.0948	2.8393		2.6984	1.7759	3.8399	1.7765	3.1725
H7	2.1566	3.3491	2.5215	2.8393	1.0948	2.6984		3.8399	1.7759	3.1725	1.7765
H8	2.1556	2.6161	2.4914	1.0932	3.4814	1.7759	3.8399		4.2956	1.7745	3.7613
H9	2.1556	2.6161	2.4914	3.4814	1.0932	3.8399	1.7759	4.2956		3.7613	1.7745
H10	2.1516	2.6569	3.0671	1.0945	2.7767	1.7765	3.1725	1.7745	3.7613		2.5604
H11	2.1516	2.6569	3.0671	2.7767	1.0945	3.1725	1.7765	3.7613	1.7745	2.5604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.596	C1	C4	H10	110.203
C1	C5	H7	110.580	C1	C5	H9	110.596
C1	C5	H11	110.203	F2	C1	H3	105.640
F2	C1	C4	107.340	F2	C1	C5	107.340
H3	C1	C4	110.795	H3	C1	C5	110.795
C4	C1	C5	114.426	H7	C5	H9	108.509
H7	C5	H11	108.472	H8	C4	H10	108.413
H9	C5	H11	108.413

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

using model chemistry: HSEh1PBE/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	0.147
2	F	-0.365
3	H	0.164
4	C	-0.499
5	C	-0.499
6	H	0.163
7	H	0.163
8	H	0.185
9	H	0.185
10	H	0.179
11	H	0.179

	x	y	z	Total
	1.777	-1.372	0.000	2.245
CHELPG
AIM
ESP

	x	y	z
x	4.728	-0.108	0.000
y	-0.108	4.706	0.000
z	0.000	0.000	5.071

<r²>	86.384
(<r²>)^1/2	9.294

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

using model chemistry: HSEh1PBE/6-31G

States and conformations

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