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	hartrees
Energy at 0K	-217.740036
Energy at 298.15K	-217.747924
HF Energy	-217.117436
Nuclear repulsion energy	132.185063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3149	3020
2	A'	3142	3014
3	A'	3060	2936
4	A'	3052	2928
5	A'	1552	1489
6	A'	1534	1472
7	A'	1460	1401
8	A'	1411	1354
9	A'	1232	1182
10	A'	1187	1138
11	A'	985	945
12	A'	844	810
13	A'	481	461
14	A'	355	340
15	A'	270	259
16	A"	3146	3018
17	A"	3135	3007
18	A"	3056	2932
19	A"	1529	1467
20	A"	1524	1462
21	A"	1459	1400
22	A"	1413	1356
23	A"	1194	1145
24	A"	969	930
25	A"	948	909
26	A"	406	390
27	A"	229	219

Atom	x (Å)	y (Å)	z (Å)
C1	0.286	0.245	0.000
F2	-0.886	1.032	0.000
H3	1.132	0.949	0.000
C4	0.286	-0.581	1.274
C5	0.286	-0.581	-1.274
H6	1.200	-1.186	1.342
H7	1.200	-1.186	-1.342
H8	0.231	0.074	2.151
H9	0.231	0.074	-2.151
H10	-0.583	-1.252	1.282
H11	-0.583	-1.252	-1.282

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4115	1.1009	1.5184	1.5184	2.1648	2.1648	2.1588	2.1588	2.1542	2.1542
F2	1.4115		2.0203	2.3660	2.3660	3.3276	3.3276	2.6061	2.6061	2.6365	2.6365
H3	1.1009	2.0203		2.1636	2.1636	2.5232	2.5232	2.4914	2.4914	3.0711	3.0711
C4	1.5184	2.3660	2.1636		2.5473	1.0982	2.8362	1.0968	3.4875	1.0978	2.7813
C5	1.5184	2.3660	2.1636	2.5473		2.8362	1.0982	3.4875	1.0968	2.7813	1.0978
H6	2.1648	3.3276	2.5232	1.0982	2.8362		2.6844	1.7841	3.8384	1.7852	3.1731
H7	2.1648	3.3276	2.5232	2.8362	1.0982	2.6844		3.8384	1.7841	3.1731	1.7852
H8	2.1588	2.6061	2.4914	1.0968	3.4875	1.7841	3.8384		4.3026	1.7824	3.7692
H9	2.1588	2.6061	2.4914	3.4875	1.0968	3.8384	1.7841	4.3026		3.7692	1.7824
H10	2.1542	2.6365	3.0711	1.0978	2.7813	1.7852	3.1731	1.7824	3.7692		2.5636
H11	2.1542	2.6365	3.0711	2.7813	1.0978	3.1731	1.7852	3.7692	1.7824	2.5636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.235	C1	C4	H10	109.815
C1	C5	H7	110.623	C1	C5	H9	110.235
C1	C5	H11	109.815	F2	C1	H3	106.397
F2	C1	C4	107.652	F2	C1	C5	107.652
H3	C1	C4	110.375	H3	C1	C5	110.375
C4	C1	C5	114.031	H7	C5	H9	108.741
H7	C5	H11	108.761	H8	C4	H10	108.620
H9	C5	H11	108.620

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

using model chemistry: QCISD(T)/6-31G*

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(T)/6-31G*

States and conformations

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