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	hartrees
Energy at 0K	-217.932939
Energy at 298.15K	-217.940860
HF Energy	-217.202789
Nuclear repulsion energy	132.888803

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3195	3044	25.35
2	A'	3188	3037	36.39
3	A'	3112	2965	26.38
4	A'	3092	2946	6.74
5	A'	1534	1461	7.31
6	A'	1518	1446	5.32
7	A'	1447	1379	21.88
8	A'	1411	1344	11.98
9	A'	1228	1170	9.64
10	A'	1177	1121	47.11
11	A'	978	932	45.13
12	A'	842	803	13.16
13	A'	486	463	3.52
14	A'	359	342	0.63
15	A'	275	262	0.10
16	A"	3193	3042	14.43
17	A"	3181	3031	0.24
18	A"	3089	2943	11.49
19	A"	1508	1437	0.07
20	A"	1505	1434	0.00
21	A"	1442	1374	29.81
22	A"	1400	1333	1.58
23	A"	1193	1136	13.54
24	A"	962	916	0.05
25	A"	952	907	0.19
26	A"	418	398	7.17
27	A"	212	202	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.281	0.242	0.000
F2	-0.874	1.043	0.000
H3	1.126	0.933	0.000
C4	0.281	-0.585	1.263
C5	0.281	-0.585	-1.263
H6	1.190	-1.182	1.317
H7	1.190	-1.182	-1.317
H8	0.235	0.058	2.140
H9	0.235	0.058	-2.140
H10	-0.579	-1.254	1.273
H11	-0.579	-1.254	-1.273

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4056	1.0916	1.5096	1.5096	2.1422	2.1422	2.1487	2.1487	2.1440	2.1440
F2	1.4056		2.0031	2.3619	2.3619	3.3087	3.3087	2.6041	2.6041	2.6426	2.6426
H3	1.0916	2.0031		2.1477	2.1477	2.4923	2.4923	2.4779	2.4779	3.0509	3.0509
C4	1.5096	2.3619	2.1477		2.5266	1.0897	2.8002	1.0881	3.4640	1.0893	2.7606
C5	1.5096	2.3619	2.1477	2.5266		2.8002	1.0897	3.4640	1.0881	2.7606	1.0893
H6	2.1422	3.3087	2.4923	1.0897	2.8002		2.6334	1.7689	3.7949	1.7709	3.1373
H7	2.1422	3.3087	2.4923	2.8002	1.0897	2.6334		3.7949	1.7689	3.1373	1.7709
H8	2.1487	2.6041	2.4779	1.0881	3.4640	1.7689	3.7949		4.2805	1.7702	3.7463
H9	2.1487	2.6041	2.4779	3.4640	1.0881	3.7949	1.7689	4.2805		3.7463	1.7702
H10	2.1440	2.6426	3.0509	1.0893	2.7606	1.7709	3.1373	1.7702	3.7463		2.5467
H11	2.1440	2.6426	3.0509	2.7606	1.0893	3.1373	1.7709	3.7463	1.7702	2.5467

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.564	C1	C4	H10	110.123
C1	C5	H7	109.954	C1	C5	H9	110.564
C1	C5	H11	110.123	F2	C1	H3	105.987
F2	C1	C4	108.178	F2	C1	C5	108.178
H3	C1	C4	110.276	H3	C1	C5	110.276
C4	C1	C5	113.614	H7	C5	H9	108.638
H7	C5	H11	108.733	H8	C4	H10	108.784
H9	C5	H11	108.784

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

using model chemistry: MP2=FULL/TZVP

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=FULL/TZVP

States and conformations

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