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	hartrees
Energy at 0K	-217.797469
Energy at 298.15K	-217.805350
HF Energy	-217.132983
Nuclear repulsion energy	132.102933

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	3034	25.78
2	A'	3168	3031	46.65
3	A'	3078	2944	10.01
4	A'	3073	2940	35.46
5	A'	1513	1447	4.00
6	A'	1491	1426	5.15
7	A'	1429	1367	23.67
8	A'	1395	1335	11.40
9	A'	1213	1161	21.55
10	A'	1185	1134	41.68
11	A'	992	949	30.83
12	A'	845	808	8.51
13	A'	479	458	3.11
14	A'	352	337	0.61
15	A'	265	253	0.19
16	A"	3170	3033	15.44
17	A"	3162	3025	0.12
18	A"	3072	2939	15.40
19	A"	1488	1424	0.05
20	A"	1482	1418	0.43
21	A"	1433	1371	28.41
22	A"	1380	1320	2.55
23	A"	1183	1132	11.22
24	A"	949	908	0.06
25	A"	933	892	0.18
26	A"	410	393	7.06
27	A"	217	208	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.278	0.247	0.000
F2	-0.867	1.047	0.000
H3	1.146	0.934	0.000
C4	0.278	-0.587	1.274
C5	0.278	-0.587	-1.274
H6	1.194	-1.201	1.334
H7	1.194	-1.201	-1.334
H8	0.233	0.067	2.161
H9	0.233	0.067	-2.161
H10	-0.599	-1.259	1.289
H11	-0.599	-1.259	-1.289

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3963	1.1072	1.5229	1.5229	2.1713	2.1713	2.1687	2.1687	2.1670	2.1670
F2	1.3963		2.0155	2.3672	2.3672	3.3283	3.3283	2.6146	2.6146	2.6546	2.6546
H3	1.1072	2.0155		2.1660	2.1660	2.5179	2.5179	2.5008	2.5008	3.0844	3.0844
C4	1.5229	2.3672	2.1660		2.5484	1.1042	2.8319	1.1032	3.4972	1.1045	2.7908
C5	1.5229	2.3672	2.1660	2.5484		2.8319	1.1042	3.4972	1.1032	2.7908	1.1045
H6	2.1713	3.3283	2.5179	1.1042	2.8319		2.6684	1.7934	3.8403	1.7947	3.1779
H7	2.1713	3.3283	2.5179	2.8319	1.1042	2.6684		3.8403	1.7934	3.1779	1.7947
H8	2.1687	2.6146	2.5008	1.1032	3.4972	1.7934	3.8403		4.3216	1.7919	3.7881
H9	2.1687	2.6146	2.5008	3.4972	1.1032	3.8403	1.7934	4.3216		3.7881	1.7919
H10	2.1670	2.6546	3.0844	1.1045	2.7908	1.7947	3.1779	1.7919	3.7881		2.5776
H11	2.1670	2.6546	3.0844	2.7908	1.1045	3.1779	1.7947	3.7881	1.7919	2.5776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.325	C1	C4	H10	110.110
C1	C5	H7	110.470	C1	C5	H9	110.325
C1	C5	H11	110.110	F2	C1	H3	106.663
F2	C1	C4	108.291	F2	C1	C5	108.291
H3	C1	C4	109.874	H3	C1	C5	109.874
C4	C1	C5	113.589	H7	C5	H9	108.671
H7	C5	H11	108.694	H8	C4	H10	108.519
H9	C5	H11	108.519

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

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

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