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	hartrees
Energy at 0K	-217.998191
Energy at 298.15K	-218.006055
HF Energy	-217.202528
Nuclear repulsion energy	132.497048

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3143	3005
2	A'	3135	2997
3	A'	3068	2933
4	A'	3052	2918
5	A'	1522	1455
6	A'	1508	1441
7	A'	1443	1379
8	A'	1402	1340
9	A'	1220	1167
10	A'	1170	1119
11	A'	970	927
12	A'	831	795
13	A'	481	460
14	A'	354	338
15	A'	265	253
16	A"	3140	3002
17	A"	3127	2989
18	A"	3048	2914
19	A"	1499	1433
20	A"	1495	1430
21	A"	1437	1374
22	A"	1393	1332
23	A"	1179	1127
24	A"	955	913
25	A"	945	903
26	A"	413	395
27	A"	201	192

Atom	x (Å)	y (Å)	z (Å)
C1	0.281	0.243	0.000
F2	-0.875	1.044	0.000
H3	1.129	0.935	0.000
C4	0.281	-0.586	1.269
C5	0.281	-0.586	-1.269
H6	1.193	-1.186	1.323
H7	1.193	-1.186	-1.323
H8	0.235	0.060	2.148
H9	0.235	0.060	-2.148
H10	-0.582	-1.256	1.280
H11	-0.582	-1.256	-1.280

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4062	1.0945	1.5162	1.5162	2.1506	2.1506	2.1558	2.1558	2.1524	2.1524
F2	1.4062		2.0065	2.3676	2.3676	3.3168	3.3168	2.6102	2.6102	2.6493	2.6493
H3	1.0945	2.0065		2.1552	2.1552	2.5008	2.5008	2.4851	2.4851	3.0610	3.0610
C4	1.5162	2.3676	2.1552		2.5386	1.0932	2.8127	1.0914	3.4777	1.0927	2.7740
C5	1.5162	2.3676	2.1552	2.5386		2.8127	1.0932	3.4777	1.0914	2.7740	1.0927
H6	2.1506	3.3168	2.5008	1.0932	2.8127		2.6456	1.7750	3.8097	1.7772	3.1517
H7	2.1506	3.3168	2.5008	2.8127	1.0932	2.6456		3.8097	1.7750	3.1517	1.7772
H8	2.1558	2.6102	2.4851	1.0914	3.4777	1.7750	3.8097		4.2950	1.7759	3.7620
H9	2.1558	2.6102	2.4851	3.4777	1.0914	3.8097	1.7750	4.2950		3.7620	1.7759
H10	2.1524	2.6493	3.0610	1.0927	2.7740	1.7772	3.1517	1.7759	3.7620		2.5608
H11	2.1524	2.6493	3.0610	2.7740	1.0927	3.1517	1.7772	3.7620	1.7759	2.5608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.466	C1	C4	H10	110.121
C1	C5	H7	109.943	C1	C5	H9	110.466
C1	C5	H11	110.121	F2	C1	H3	106.045
F2	C1	C4	108.158	F2	C1	C5	108.158
H3	C1	C4	110.236	H3	C1	C5	110.236
C4	C1	C5	113.679	H7	C5	H9	108.683
H7	C5	H11	108.787	H8	C4	H10	108.800
H9	C5	H11	108.800

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

using model chemistry: CCSD(T)=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(T)=FULL/TZVP

States and conformations

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