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	hartrees
Energy at 0K	-218.382208
Energy at 298.15K	-218.390025
HF Energy	-218.382208
Nuclear repulsion energy	132.793998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3124	2991	26.43
2	A'	3118	2985	39.14
3	A'	3041	2911	8.26
4	A'	3027	2898	24.54
5	A'	1503	1439	8.01
6	A'	1484	1421	7.16
7	A'	1409	1348	18.14
8	A'	1364	1306	9.72
9	A'	1193	1142	10.90
10	A'	1148	1099	59.34
11	A'	949	909	46.88
12	A'	827	791	11.31
13	A'	474	454	2.76
14	A'	350	335	1.15
15	A'	251	240	0.06
16	A"	3122	2989	15.76
17	A"	3111	2978	0.11
18	A"	3037	2907	13.16
19	A"	1479	1416	0.04
20	A"	1473	1410	0.13
21	A"	1403	1343	30.21
22	A"	1368	1310	1.17
23	A"	1163	1113	15.53
24	A"	936	896	0.06
25	A"	925	885	0.71
26	A"	408	391	6.24
27	A"	211	202	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.278	0.238	0.000
F2	-0.867	1.045	0.000
H3	1.127	0.930	0.000
C4	0.278	-0.584	1.268
C5	0.278	-0.584	-1.268
H6	1.191	-1.179	1.333
H7	1.191	-1.179	-1.333
H8	0.227	0.062	2.144
H9	0.227	0.062	-2.144
H10	-0.578	-1.262	1.286
H11	-0.578	-1.262	-1.286

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4006	1.0953	1.5112	1.5112	2.1488	2.1488	2.1523	2.1523	2.1528	2.1528
F2	1.4006		1.9971	2.3607	2.3607	3.3101	3.3101	2.6006	2.6006	2.6572	2.6572
H3	1.0953	1.9971		2.1496	2.1496	2.4953	2.4953	2.4822	2.4822	3.0598	3.0598
C4	1.5112	2.3607	2.1496		2.5358	1.0916	2.8195	1.0902	3.4734	1.0915	2.7770
C5	1.5112	2.3607	2.1496	2.5358		2.8195	1.0916	3.4734	1.0902	2.7770	1.0915
H6	2.1488	3.3101	2.4953	1.0916	2.8195		2.6651	1.7685	3.8155	1.7708	3.1604
H7	2.1488	3.3101	2.4953	2.8195	1.0916	2.6651		3.8155	1.7685	3.1604	1.7708
H8	2.1523	2.6006	2.4822	1.0902	3.4734	1.7685	3.8155		4.2890	1.7716	3.7639
H9	2.1523	2.6006	2.4822	3.4734	1.0902	3.8155	1.7685	4.2890		3.7639	1.7716
H10	2.1528	2.6572	3.0598	1.0915	2.7770	1.7708	3.1604	1.7716	3.7639		2.5713
H11	2.1528	2.6572	3.0598	2.7770	1.0915	3.1604	1.7708	3.7639	1.7716	2.5713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.618	C1	C4	H10	110.584
C1	C5	H7	110.251	C1	C5	H9	110.618
C1	C5	H11	110.584	F2	C1	H3	105.637
F2	C1	C4	108.277	F2	C1	C5	108.277
H3	C1	C4	110.099	H3	C1	C5	110.099
C4	C1	C5	114.074	H7	C5	H9	108.300
H7	C5	H11	108.420	H8	C4	H10	108.597
H9	C5	H11	108.597

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

using model chemistry: B3PW91/6-311+G(3df,2p)

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	0.333
2	F	-0.470
3	H	0.119
4	C	-0.406
5	C	-0.406
6	H	0.144
7	H	0.144
8	H	0.125
9	H	0.125
10	H	0.145
11	H	0.145

	x	y	z	Total
	1.542	-1.243	0.000	1.980
CHELPG
AIM
ESP

	x	y	z
x	5.678	-0.130	0.000
y	-0.130	5.834	0.000
z	0.000	0.000	6.486

<r²>	85.563
(<r²>)^1/2	9.250

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

using model chemistry: B3PW91/6-311+G(3df,2p)

States and conformations

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