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	hartrees
Energy at 0K	-216.367808
Energy at 298.15K	-216.375632
HF Energy	-215.934191
Nuclear repulsion energy	130.751214

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3116	2995	40.57
2	A'	3114	2992	30.26
3	A'	3042	2923	2.00
4	A'	3041	2923	30.80
5	A'	1587	1526	9.45
6	A'	1570	1509	4.42
7	A'	1484	1427	9.82
8	A'	1423	1368	19.84
9	A'	1244	1195	10.76
10	A'	1200	1153	20.77
11	A'	977	939	21.47
12	A'	812	780	1.97
13	A'	460	442	2.53
14	A'	348	335	1.37
15	A'	257	247	0.23
16	A"	3112	2991	11.35
17	A"	3107	2986	3.55
18	A"	3038	2920	11.14
19	A"	1567	1506	0.33
20	A"	1559	1498	0.79
21	A"	1468	1411	10.68
22	A"	1434	1378	15.17
23	A"	1167	1121	15.74
24	A"	990	952	1.34
25	A"	957	919	0.15
26	A"	373	359	7.00
27	A"	224	215	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.294	0.255	0.000
F2	-0.907	1.050	0.000
H3	1.152	0.942	0.000
C4	0.294	-0.594	1.283
C5	0.294	-0.594	-1.283
H6	1.208	-1.199	1.337
H7	1.208	-1.199	-1.337
H8	0.237	0.057	2.165
H9	0.237	0.057	-2.165
H10	-0.580	-1.259	1.278
H11	-0.580	-1.259	-1.278

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4400	1.0993	1.5381	1.5381	2.1768	2.1768	2.1744	2.1744	2.1658	2.1658
F2	1.4400		2.0625	2.4058	2.4058	3.3643	3.3643	2.6419	2.6419	2.6588	2.6588
H3	1.0993	2.0625		2.1772	2.1772	2.5246	2.5246	2.5112	2.5112	3.0789	3.0789
C4	1.5381	2.4058	2.1772		2.5651	1.0979	2.8399	1.0978	3.5086	1.0984	2.7864
C5	1.5381	2.4058	2.1772	2.5651		2.8399	1.0979	3.5086	1.0978	2.7864	1.0984
H6	2.1768	3.3643	2.5246	1.0979	2.8399		2.6743	1.7906	3.8450	1.7906	3.1691
H7	2.1768	3.3643	2.5246	2.8399	1.0979	2.6743		3.8450	1.7906	3.1691	1.7906
H8	2.1744	2.6419	2.5112	1.0978	3.5086	1.7906	3.8450		4.3293	1.7849	3.7754
H9	2.1744	2.6419	2.5112	3.5086	1.0978	3.8450	1.7906	4.3293		3.7754	1.7849
H10	2.1658	2.6588	3.0789	1.0984	2.7864	1.7906	3.1691	1.7849	3.7754		2.5565
H11	2.1658	2.6588	3.0789	2.7864	1.0984	3.1691	1.7906	3.7754	1.7849	2.5565

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.040	C1	C4	H10	109.328
C1	C5	H7	110.224	C1	C5	H9	110.040
C1	C5	H11	109.328	F2	C1	H3	107.880
F2	C1	C4	107.725	F2	C1	C5	107.725
H3	C1	C4	110.165	H3	C1	C5	110.165
C4	C1	C5	112.993	H7	C5	H9	109.270
H7	C5	H11	109.229	H8	C4	H10	108.724
H9	C5	H11	108.724

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

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

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