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	hartrees
Energy at 0K	-218.030883
Energy at 298.15K	-218.038751
HF Energy	-217.213284
Nuclear repulsion energy	132.944851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3149	3149	29.68
2	A'	3143	3143	43.42
3	A'	3076	3076	21.51
4	A'	3064	3064	8.90
5	A'	1527	1527	5.49
6	A'	1509	1509	5.53
7	A'	1438	1438	18.60
8	A'	1397	1397	10.68
9	A'	1215	1215	12.51
10	A'	1178	1178	51.38
11	A'	982	982	40.14
12	A'	840	840	9.63
13	A'	480	480	3.11
14	A'	353	353	0.70
15	A'	260	260	0.09
16	A"	3146	3146	17.42
17	A"	3135	3135	0.04
18	A"	3060	3060	12.52
19	A"	1504	1504	0.01
20	A"	1500	1500	0.01
21	A"	1438	1438	26.32
22	A"	1394	1394	1.30
23	A"	1184	1184	12.22
24	A"	951	951	0.00
25	A"	938	938	0.33
26	A"	414	414	6.65
27	A"	212	212	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.279	0.245	0.000
F2	-0.869	1.040	0.000
H3	1.125	0.934	0.000
C4	0.279	-0.584	1.266
C5	0.279	-0.584	-1.266
H6	1.188	-1.184	1.322
H7	1.188	-1.184	-1.322
H8	0.231	0.059	2.143
H9	0.231	0.059	-2.143
H10	-0.582	-1.254	1.276
H11	-0.582	-1.254	-1.276

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3965	1.0916	1.5134	1.5134	2.1485	2.1485	2.1516	2.1516	2.1482	2.1482
F2	1.3965		1.9973	2.3579	2.3579	3.3055	3.3055	2.6013	2.6013	2.6407	2.6407
H3	1.0916	1.9973		2.1507	2.1507	2.4977	2.4977	2.4815	2.4815	3.0544	3.0544
C4	1.5134	2.3579	2.1507		2.5316	1.0905	2.8076	1.0889	3.4694	1.0903	2.7655
C5	1.5134	2.3579	2.1507	2.5316		2.8076	1.0905	3.4694	1.0889	2.7655	1.0903
H6	2.1485	3.3055	2.4977	1.0905	2.8076		2.6439	1.7703	3.8034	1.7717	3.1439
H7	2.1485	3.3055	2.4977	2.8076	1.0905	2.6439		3.8034	1.7703	3.1439	1.7717
H8	2.1516	2.6013	2.4815	1.0889	3.4694	1.7703	3.8034		4.2861	1.7712	3.7513
H9	2.1516	2.6013	2.4815	3.4694	1.0889	3.8034	1.7703	4.2861		3.7513	1.7712
H10	2.1482	2.6407	3.0544	1.0903	2.7655	1.7717	3.1439	1.7712	3.7513		2.5513
H11	2.1482	2.6407	3.0544	2.7655	1.0903	3.1439	1.7717	3.7513	1.7712	2.5513

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.483	C1	C4	H10	110.129
C1	C5	H7	110.142	C1	C5	H9	110.483
C1	C5	H11	110.129	F2	C1	H3	106.137
F2	C1	C4	108.185	F2	C1	C5	108.185
H3	C1	C4	110.248	H3	C1	C5	110.248
C4	C1	C5	113.524	H7	C5	H9	108.642
H7	C5	H11	108.664	H8	C4	H10	108.733
H9	C5	H11	108.733

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

using model chemistry: QCISD/Def2TZVPP

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

using model chemistry: QCISD/Def2TZVPP

States and conformations

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