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	hartrees
Energy at 0K	-217.753223
Energy at 298.15K	-217.761105
HF Energy	-217.133125
Nuclear repulsion energy	132.201475

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3200	3048	19.86
2	A'	3197	3045	36.61
3	A'	3093	2946	16.80
4	A'	3090	2943	29.05
5	A'	1510	1439	5.25
6	A'	1488	1417	5.79
7	A'	1416	1348	24.28
8	A'	1384	1318	9.68
9	A'	1208	1150	15.71
10	A'	1170	1114	45.16
11	A'	982	935	30.36
12	A'	843	803	10.04
13	A'	478	455	2.91
14	A'	351	335	0.71
15	A'	271	258	0.18
16	A"	3198	3046	12.62
17	A"	3190	3039	0.04
18	A"	3089	2942	13.66
19	A"	1485	1414	0.03
20	A"	1478	1408	0.25
21	A"	1421	1353	33.61
22	A"	1371	1306	1.30
23	A"	1184	1128	11.54
24	A"	944	899	0.05
25	A"	929	885	0.38
26	A"	407	388	6.77
27	A"	222	211	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.280	0.246	0.000
F2	-0.872	1.046	0.000
H3	1.144	0.935	0.000
C4	0.280	-0.587	1.270
C5	0.280	-0.587	-1.270
H6	1.195	-1.198	1.330
H7	1.195	-1.198	-1.330
H8	0.232	0.065	2.156
H9	0.232	0.065	-2.156
H10	-0.594	-1.259	1.281
H11	-0.594	-1.259	-1.281

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4024	1.1058	1.5186	1.5186	2.1658	2.1658	2.1643	2.1643	2.1604	2.1604
F2	1.4024		2.0191	2.3677	2.3677	3.3282	3.3282	2.6135	2.6135	2.6513	2.6513
H3	1.1058	2.0191		2.1627	2.1627	2.5141	2.5141	2.4981	2.4981	3.0784	3.0784
C4	1.5186	2.3677	2.1627		2.5397	1.1022	2.8231	1.1011	3.4878	1.1024	2.7784
C5	1.5186	2.3677	2.1627	2.5397		2.8231	1.1022	3.4878	1.1011	2.7784	1.1024
H6	2.1658	3.3282	2.5141	1.1022	2.8231		2.6599	1.7902	3.8308	1.7916	3.1657
H7	2.1658	3.3282	2.5141	2.8231	1.1022	2.6599		3.8308	1.7902	3.1657	1.7916
H8	2.1643	2.6135	2.4981	1.1011	3.4878	1.7902	3.8308		4.3124	1.7889	3.7742
H9	2.1643	2.6135	2.4981	3.4878	1.1011	3.8308	1.7902	4.3124		3.7742	1.7889
H10	2.1604	2.6513	3.0784	1.1024	2.7784	1.7916	3.1657	1.7889	3.7742		2.5611
H11	2.1604	2.6513	3.0784	2.7784	1.1024	3.1657	1.7916	3.7742	1.7889	2.5611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.401	C1	C4	H10	110.014
C1	C5	H7	110.450	C1	C5	H9	110.401
C1	C5	H11	110.014	F2	C1	H3	106.619
F2	C1	C4	108.243	F2	C1	C5	108.243
H3	C1	C4	109.996	H3	C1	C5	109.996
C4	C1	C5	113.483	H7	C5	H9	108.675
H7	C5	H11	108.707	H8	C4	H10	108.544
H9	C5	H11	108.544

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

using model chemistry: MP2/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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All results from a given calculation for CH3CHFCH3 (2-Fluoropropane)

using model chemistry: MP2/cc-pVDZ

States and conformations

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