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	hartrees
Energy at 0K	-218.213561
Energy at 298.15K	-218.221405
HF Energy	-218.213561
Nuclear repulsion energy	132.858053

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3143	3019	28.32
2	A'	3138	3014	49.43
3	A'	3056	2935	10.52
4	A'	3052	2932	28.03
5	A'	1506	1447	7.68
6	A'	1484	1426	7.69
7	A'	1413	1357	24.41
8	A'	1380	1325	9.28
9	A'	1199	1152	12.50
10	A'	1160	1114	55.78
11	A'	962	924	40.57
12	A'	837	804	10.87
13	A'	476	457	3.05
14	A'	350	336	0.97
15	A'	257	247	0.13
16	A"	3141	3017	16.83
17	A"	3131	3007	0.03
18	A"	3052	2932	13.63
19	A"	1481	1422	0.00
20	A"	1474	1415	0.02
21	A"	1412	1356	39.18
22	A"	1368	1314	0.59
23	A"	1173	1127	13.44
24	A"	941	904	0.01
25	A"	929	892	0.83
26	A"	409	392	7.17
27	A"	215	206	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.280	0.241	0.000
F2	-0.871	1.037	0.000
H3	1.129	0.935	0.000
C4	0.280	-0.581	1.267
C5	0.280	-0.581	-1.267
H6	1.193	-1.179	1.338
H7	1.193	-1.179	-1.338
H8	0.223	0.068	2.143
H9	0.223	0.068	-2.143
H10	-0.580	-1.257	1.280
H11	-0.580	-1.257	-1.280

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3999	1.0965	1.5103	1.5103	2.1542	2.1542	2.1504	2.1504	2.1494	2.1494
F2	1.3999		2.0027	2.3558	2.3558	3.3111	3.3111	2.5936	2.5936	2.6429	2.6429
H3	1.0965	2.0027		2.1506	2.1506	2.5031	2.5031	2.4825	2.4825	3.0596	3.0596
C4	1.5103	2.3558	2.1506		2.5338	1.0935	2.8245	1.0920	3.4714	1.0935	2.7715
C5	1.5103	2.3558	2.1506	2.5338		2.8245	1.0935	3.4714	1.0920	2.7715	1.0935
H6	2.1542	3.3111	2.5031	1.0935	2.8245		2.6767	1.7732	3.8230	1.7751	3.1627
H7	2.1542	3.3111	2.5031	2.8245	1.0935	2.6767		3.8230	1.7732	3.1627	1.7751
H8	2.1504	2.5936	2.4825	1.0920	3.4714	1.7732	3.8230		4.2854	1.7734	3.7569
H9	2.1504	2.5936	2.4825	3.4714	1.0920	3.8230	1.7732	4.2854		3.7569	1.7734
H10	2.1494	2.6429	3.0596	1.0935	2.7715	1.7751	3.1627	1.7734	3.7569		2.5596
H11	2.1494	2.6429	3.0596	2.7715	1.0935	3.1627	1.7751	3.7569	1.7734	2.5596

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.420	C1	C4	H10	110.255
C1	C5	H7	110.638	C1	C5	H9	110.420
C1	C5	H11	110.255	F2	C1	H3	106.047
F2	C1	C4	108.036	F2	C1	C5	108.036
H3	C1	C4	110.163	H3	C1	C5	110.163
C4	C1	C5	114.039	H7	C5	H9	108.459
H7	C5	H11	108.525	H8	C4	H10	108.478
H9	C5	H11	108.478

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

using model chemistry: HSEh1PBE/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	0.091
2	F	-0.288
3	H	0.113
4	C	-0.341
5	C	-0.341
6	H	0.120
7	H	0.120
8	H	0.136
9	H	0.136
10	H	0.127
11	H	0.127

	x	y	z	Total
	1.474	-1.146	0.000	1.867
CHELPG
AIM
ESP

	x	y	z
x	5.100	-0.017	0.000
y	-0.017	5.186	0.000
z	0.000	0.000	5.824

<r²>	85.376
(<r²>)^1/2	9.240

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

using model chemistry: HSEh1PBE/6-311G**

States and conformations

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