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	hartrees
Energy at 0K	-217.644270
Energy at 298.15K	-217.652267
HF Energy	-217.118675
Nuclear repulsion energy	133.054011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3247	3006	34.82
2	A'	3241	3001	47.84
3	A'	3168	2933	26.12
4	A'	3160	2925	14.82
5	A'	1599	1481	6.04
6	A'	1581	1464	4.70
7	A'	1514	1401	20.14
8	A'	1464	1355	19.47
9	A'	1272	1178	11.37
10	A'	1234	1143	48.68
11	A'	1026	950	38.49
12	A'	873	808	8.73
13	A'	497	460	3.55
14	A'	366	339	0.91
15	A'	277	256	0.16
16	A"	3244	3004	16.67
17	A"	3234	2994	0.07
18	A"	3155	2921	13.56
19	A"	1576	1459	0.04
20	A"	1571	1455	0.00
21	A"	1514	1402	30.17
22	A"	1461	1353	2.28
23	A"	1230	1139	11.11
24	A"	1001	926	0.02
25	A"	981	908	0.49
26	A"	423	391	7.43
27	A"	234	217	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.282	0.245	0.000
F2	-0.875	1.028	0.000
H3	1.124	0.939	0.000
C4	0.282	-0.579	1.268
C5	0.282	-0.579	-1.268
H6	1.188	-1.180	1.336
H7	1.188	-1.180	-1.336
H8	0.229	0.071	2.140
H9	0.229	0.071	-2.140
H10	-0.580	-1.245	1.279
H11	-0.580	-1.245	-1.279

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3969	1.0913	1.5118	1.5118	2.1534	2.1534	2.1477	2.1477	2.1448	2.1448
F2	1.3969		2.0007	2.3509	2.3509	3.3041	3.3041	2.5909	2.5909	2.6247	2.6247
H3	1.0913	2.0007		2.1495	2.1495	2.5061	2.5061	2.4769	2.4769	3.0515	3.0515
C4	1.5118	2.3509	2.1495		2.5356	1.0899	2.8219	1.0887	3.4695	1.0897	2.7705
C5	1.5118	2.3509	2.1495	2.5356		2.8219	1.0899	3.4695	1.0887	2.7705	1.0897
H6	2.1534	3.3041	2.5061	1.0899	2.8219		2.6719	1.7699	3.8168	1.7707	3.1580
H7	2.1534	3.3041	2.5061	2.8219	1.0899	2.6719		3.8168	1.7699	3.1580	1.7707
H8	2.1477	2.5909	2.4769	1.0887	3.4695	1.7699	3.8168		4.2799	1.7679	3.7520
H9	2.1477	2.5909	2.4769	3.4695	1.0887	3.8168	1.7699	4.2799		3.7520	1.7679
H10	2.1448	2.6247	3.0515	1.0897	2.7705	1.7707	3.1580	1.7679	3.7520		2.5590
H11	2.1448	2.6247	3.0515	2.7705	1.0897	3.1580	1.7707	3.7520	1.7679	2.5590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.291	C1	C4	H10	110.002
C1	C5	H7	110.674	C1	C5	H9	110.291
C1	C5	H11	110.002	F2	C1	H3	106.396
F2	C1	C4	107.779	F2	C1	C5	107.779
H3	C1	C4	110.280	H3	C1	C5	110.280
C4	C1	C5	113.982	H7	C5	H9	108.657
H7	C5	H11	108.664	H8	C4	H10	108.499
H9	C5	H11	108.499

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

using model chemistry: CISD/6-31G*

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: CISD/6-31G*

States and conformations

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