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	hartrees
Energy at 0K	-218.015550
Energy at 298.15K	-218.023440
HF Energy	-217.199904
Nuclear repulsion energy	132.894129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3145	2999	29.21
2	A'	3138	2993	42.57
3	A'	3066	2924	20.66
4	A'	3058	2916	9.11
5	A'	1532	1461	6.17
6	A'	1513	1443	5.70
7	A'	1440	1373	17.56
8	A'	1397	1332	10.80
9	A'	1217	1160	10.57
10	A'	1176	1122	53.95
11	A'	979	934	43.06
12	A'	840	801	10.51
13	A'	480	458	3.10
14	A'	355	338	0.87
15	A'	262	250	0.10
16	A"	3142	2997	17.07
17	A"	3130	2986	0.08
18	A"	3054	2912	12.71
19	A"	1509	1439	0.03
20	A"	1503	1434	0.02
21	A"	1439	1373	25.66
22	A"	1396	1332	1.01
23	A"	1184	1129	12.34
24	A"	953	909	0.00
25	A"	941	897	0.42
26	A"	415	395	6.76
27	A"	217	207	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.279	0.245	0.000
F2	-0.870	1.037	0.000
H3	1.124	0.940	0.000
C4	0.279	-0.583	1.268
C5	0.279	-0.583	-1.268
H6	1.192	-1.179	1.327
H7	1.192	-1.179	-1.327
H8	0.228	0.062	2.144
H9	0.228	0.062	-2.144
H10	-0.579	-1.257	1.277
H11	-0.579	-1.257	-1.277

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3962	1.0935	1.5142	1.5142	2.1500	2.1500	2.1529	2.1529	2.1503	2.1503
F2	1.3962		1.9963	2.3567	2.3567	3.3055	3.3055	2.5991	2.5991	2.6417	2.6417
H3	1.0935	1.9963		2.1541	2.1541	2.5016	2.5016	2.4845	2.4845	3.0589	3.0589
C4	1.5142	2.3567	2.1541		2.5352	1.0915	2.8144	1.0898	3.4729	1.0912	2.7687
C5	1.5142	2.3567	2.1541	2.5352		2.8144	1.0915	3.4729	1.0898	2.7687	1.0912
H6	2.1500	3.3055	2.5016	1.0915	2.8144		2.6545	1.7714	3.8109	1.7731	3.1502
H7	2.1500	3.3055	2.5016	2.8144	1.0915	2.6545		3.8109	1.7714	3.1502	1.7731
H8	2.1529	2.5991	2.4845	1.0898	3.4729	1.7714	3.8109		4.2889	1.7726	3.7545
H9	2.1529	2.5991	2.4845	3.4729	1.0898	3.8109	1.7714	4.2889		3.7545	1.7726
H10	2.1503	2.6417	3.0589	1.0912	2.7687	1.7731	3.1502	1.7726	3.7545		2.5541
H11	2.1503	2.6417	3.0589	2.7687	1.0912	3.1502	1.7731	3.7545	1.7726	2.5541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.473	C1	C4	H10	110.184
C1	C5	H7	110.147	C1	C5	H9	110.473
C1	C5	H11	110.184	F2	C1	H3	105.971
F2	C1	C4	108.074	F2	C1	C5	108.074
H3	C1	C4	110.349	H3	C1	C5	110.349
C4	C1	C5	113.678	H7	C5	H9	108.599
H7	C5	H11	108.653	H8	C4	H10	108.735
H9	C5	H11	108.735

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

using model chemistry: QCISD/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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All results from a given calculation for CH3CHFCH3 (2-Fluoropropane)

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

States and conformations

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