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	hartrees
Energy at 0K	-218.232597
Energy at 298.15K	-218.240467
HF Energy	-218.016700
Nuclear repulsion energy	132.522672

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3145	3145	36.74
2	A'	3139	3139	50.02
3	A'	3068	3068	27.78
4	A'	3061	3061	9.49
5	A'	1525	1525	7.20
6	A'	1505	1505	6.38
7	A'	1433	1433	18.97
8	A'	1396	1396	11.29
9	A'	1212	1212	9.24
10	A'	1165	1165	44.72
11	A'	960	960	45.63
12	A'	831	831	11.98
13	A'	479	479	3.33
14	A'	353	353	0.83
15	A'	262	262	0.16
16	A"	3143	3143	18.26
17	A"	3132	3132	0.07
18	A"	3057	3057	14.16
19	A"	1502	1502	0.00
20	A"	1494	1494	0.02
21	A"	1428	1428	31.90
22	A"	1387	1387	2.26
23	A"	1176	1176	13.72
24	A"	951	951	0.11
25	A"	941	941	0.22
26	A"	410	410	7.47
27	A"	216	216	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.283	0.242	0.000
F2	-0.878	1.037	0.000
H3	1.126	0.939	0.000
C4	0.283	-0.582	1.272
C5	0.283	-0.582	-1.272
H6	1.195	-1.180	1.341
H7	1.195	-1.180	-1.341
H8	0.226	0.069	2.145
H9	0.226	0.069	-2.145
H10	-0.577	-1.255	1.284
H11	-0.577	-1.255	-1.284

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4070	1.0941	1.5157	1.5157	2.1566	2.1566	2.1529	2.1529	2.1515	2.1515
F2	1.4070		2.0066	2.3638	2.3638	3.3179	3.3179	2.5997	2.5997	2.6444	2.6444
H3	1.0941	2.0066		2.1549	2.1549	2.5080	2.5080	2.4838	2.4838	3.0601	3.0601
C4	1.5157	2.3638	2.1549		2.5438	1.0925	2.8311	1.0909	3.4791	1.0921	2.7790
C5	1.5157	2.3638	2.1549	2.5438		2.8311	1.0925	3.4791	1.0909	2.7790	1.0921
H6	2.1566	3.3179	2.5080	1.0925	2.8311		2.6817	1.7732	3.8275	1.7750	3.1678
H7	2.1566	3.3179	2.5080	2.8311	1.0925	2.6817		3.8275	1.7732	3.1678	1.7750
H8	2.1529	2.5997	2.4838	1.0909	3.4791	1.7732	3.8275		4.2905	1.7725	3.7624
H9	2.1529	2.5997	2.4838	3.4791	1.0909	3.8275	1.7732	4.2905		3.7624	1.7725
H10	2.1515	2.6444	3.0601	1.0921	2.7790	1.7750	3.1678	1.7725	3.7624		2.5670
H11	2.1515	2.6444	3.0601	2.7790	1.0921	3.1678	1.7750	3.7624	1.7725	2.5670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.309	C1	C4	H10	110.124
C1	C5	H7	110.500	C1	C5	H9	110.309
C1	C5	H11	110.124	F2	C1	H3	106.025
F2	C1	C4	107.899	F2	C1	C5	107.899
H3	C1	C4	110.271	H3	C1	C5	110.271
C4	C1	C5	114.101	H7	C5	H9	108.606
H7	C5	H11	108.680	H8	C4	H10	108.570
H9	C5	H11	108.570

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

using model chemistry: B2PLYP/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	0.136
2	F	-0.302
3	H	0.093
4	C	-0.296
5	C	-0.296
6	H	0.102
7	H	0.102
8	H	0.119
9	H	0.119
10	H	0.110
11	H	0.110

	x	y	z	Total
	1.490	-1.137	0.000	1.875
CHELPG
AIM
ESP

	x	y	z
x	5.078	-0.033	0.000
y	-0.033	5.145	0.000
z	0.000	0.000	5.757

<r²>	85.929
(<r²>)^1/2	9.270

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

using model chemistry: B2PLYP/6-311G**

States and conformations

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