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	hartrees
Energy at 0K	-217.977054
Energy at 298.15K	-217.984970
HF Energy	-217.202853
Nuclear repulsion energy	132.768702

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3161	2995	35.11
2	A'	3153	2988	49.65
3	A'	3090	2928	23.28
4	A'	3073	2911	9.51
5	A'	1536	1455	5.57
6	A'	1521	1441	4.55
7	A'	1459	1382	19.71
8	A'	1420	1345	13.51
9	A'	1232	1167	9.36
10	A'	1189	1126	47.57
11	A'	987	935	46.41
12	A'	842	798	11.13
13	A'	487	461	3.68
14	A'	359	340	0.52
15	A'	269	255	0.11
16	A"	3158	2992	18.96
17	A"	3146	2980	0.16
18	A"	3068	2907	13.47
19	A"	1512	1432	0.04
20	A"	1509	1430	0.01
21	A"	1454	1377	24.27
22	A"	1408	1334	2.75
23	A"	1191	1128	12.67
24	A"	965	914	0.02
25	A"	955	905	0.08
26	A"	420	398	7.44
27	A"	208	197	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.279	0.243	0.000
F2	-0.870	1.043	0.000
H3	1.127	0.932	0.000
C4	0.279	-0.585	1.268
C5	0.279	-0.585	-1.268
H6	1.189	-1.186	1.321
H7	1.189	-1.186	-1.321
H8	0.235	0.060	2.145
H9	0.235	0.060	-2.145
H10	-0.583	-1.254	1.281
H11	-0.583	-1.254	-1.281

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4003	1.0927	1.5142	1.5142	2.1480	2.1480	2.1531	2.1531	2.1504	2.1504
F2	1.4003		2.0007	2.3620	2.3620	3.3094	3.3094	2.6057	2.6057	2.6455	2.6455
H3	1.0927	2.0007		2.1512	2.1512	2.4964	2.4964	2.4812	2.4812	3.0566	3.0566
C4	1.5142	2.3620	2.1512		2.5353	1.0915	2.8086	1.0898	3.4732	1.0911	2.7721
C5	1.5142	2.3620	2.1512	2.5353		2.8086	1.0915	3.4732	1.0898	2.7721	1.0911
H6	2.1480	3.3094	2.4964	1.0915	2.8086		2.6416	1.7720	3.8042	1.7737	3.1484
H7	2.1480	3.3094	2.4964	2.8086	1.0915	2.6416		3.8042	1.7720	3.1484	1.7737
H8	2.1531	2.6057	2.4812	1.0898	3.4732	1.7720	3.8042		4.2898	1.7727	3.7591
H9	2.1531	2.6057	2.4812	3.4732	1.0898	3.8042	1.7720	4.2898		3.7591	1.7727
H10	2.1504	2.6455	3.0566	1.0911	2.7721	1.7737	3.1484	1.7727	3.7591		2.5614
H11	2.1504	2.6455	3.0566	2.7721	1.0911	3.1484	1.7737	3.7591	1.7727	2.5614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.493	C1	C4	H10	110.193
C1	C5	H7	109.984	C1	C5	H9	110.493
C1	C5	H11	110.193	F2	C1	H3	106.086
F2	C1	C4	108.214	F2	C1	C5	108.214
H3	C1	C4	110.163	H3	C1	C5	110.163
C4	C1	C5	113.679	H7	C5	H9	108.655
H7	C5	H11	108.720	H8	C4	H10	108.751
H9	C5	H11	108.751

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

using model chemistry: CCSD=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: CCSD=FULL/TZVP

States and conformations

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