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	hartrees
Energy at 0K	-218.288494
Energy at 298.15K	-218.296299
HF Energy	-218.288494
Nuclear repulsion energy	132.855039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	3047	21.09
2	A'	3165	3043	40.58
3	A'	3074	2954	6.62
4	A'	3057	2938	38.62
5	A'	1483	1426	4.32
6	A'	1461	1404	6.82
7	A'	1397	1342	22.34
8	A'	1361	1309	10.98
9	A'	1191	1145	18.48
10	A'	1156	1111	55.15
11	A'	968	931	33.11
12	A'	841	809	10.07
13	A'	466	448	2.66
14	A'	343	330	0.84
15	A'	254	244	0.11
16	A"	3169	3046	13.13
17	A"	3160	3037	0.07
18	A"	3070	2951	14.86
19	A"	1458	1401	0.48
20	A"	1453	1397	0.87
21	A"	1403	1348	33.74
22	A"	1354	1301	1.29
23	A"	1174	1128	12.60
24	A"	935	899	0.07
25	A"	920	884	0.79
26	A"	402	386	6.80
27	A"	212	204	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.278	0.240	0.000
F2	-0.867	1.038	0.000
H3	1.137	0.931	0.000
C4	0.278	-0.581	1.266
C5	0.278	-0.581	-1.266
H6	1.193	-1.183	1.338
H7	1.193	-1.183	-1.338
H8	0.223	0.071	2.146
H9	0.223	0.071	-2.146
H10	-0.586	-1.259	1.282
H11	-0.586	-1.259	-1.282

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3958	1.1023	1.5088	1.5088	2.1569	2.1569	2.1530	2.1530	2.1531	2.1531
F2	1.3958		2.0064	2.3529	2.3529	3.3119	3.3119	2.5935	2.5935	2.6456	2.6456
H3	1.1023	2.0064		2.1509	2.1509	2.5024	2.5024	2.4856	2.4856	3.0670	3.0670
C4	1.5088	2.3529	2.1509		2.5316	1.0978	2.8245	1.0968	3.4737	1.0983	2.7742
C5	1.5088	2.3529	2.1509	2.5316		2.8245	1.0978	3.4737	1.0968	2.7742	1.0983
H6	2.1569	3.3119	2.5024	1.0978	2.8245		2.6752	1.7801	3.8274	1.7819	3.1675
H7	2.1569	3.3119	2.5024	2.8245	1.0978	2.6752		3.8274	1.7801	3.1675	1.7819
H8	2.1530	2.5935	2.4856	1.0968	3.4737	1.7801	3.8274		4.2913	1.7804	3.7645
H9	2.1530	2.5935	2.4856	3.4737	1.0968	3.8274	1.7801	4.2913		3.7645	1.7804
H10	2.1531	2.6456	3.0670	1.0983	2.7742	1.7819	3.1675	1.7804	3.7645		2.5636
H11	2.1531	2.6456	3.0670	2.7742	1.0983	3.1675	1.7819	3.7645	1.7804	2.5636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.442	C1	C4	H10	110.364
C1	C5	H7	110.692	C1	C5	H9	110.442
C1	C5	H11	110.364	F2	C1	H3	106.278
F2	C1	C4	108.142	F2	C1	C5	108.142
H3	C1	C4	109.948	H3	C1	C5	109.948
C4	C1	C5	114.058	H7	C5	H9	108.408
H7	C5	H11	108.459	H8	C4	H10	108.404
H9	C5	H11	108.404

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

using model chemistry: B1B95/cc-pVDZ

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	0.091
2	F	-0.261
3	H	0.014
4	C	-0.036
5	C	-0.036
6	H	0.032
7	H	0.032
8	H	0.043
9	H	0.043
10	H	0.040
11	H	0.040

	x	y	z	Total
	1.383	-1.106	0.000	1.771
CHELPG
AIM
ESP

	x	y	z
x	4.940	-0.004	0.000
y	-0.004	5.030	0.000
z	0.000	0.000	5.645

<r²>	85.192
(<r²>)^1/2	9.230

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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