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	hartrees
Energy at 0K	-218.137227
Energy at 298.15K	-218.145052
HF Energy	-217.213221
Nuclear repulsion energy	132.908627

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3133	3133
2	A'	3126	3126
3	A'	3054	3054
4	A'	3046	3046
5	A'	1515	1515
6	A'	1496	1496
7	A'	1423	1423
8	A'	1382	1382
9	A'	1204	1204
10	A'	1164	1164
11	A'	971	971
12	A'	833	833
13	A'	475	475
14	A'	350	350
15	A'	256	256
16	A"	3130	3130
17	A"	3118	3118
18	A"	3043	3043
19	A"	1491	1491
20	A"	1487	1487
21	A"	1424	1424
22	A"	1382	1382
23	A"	1177	1177
24	A"	944	944
25	A"	930	930
26	A"	409	409
27	A"	205	205

Atom	x (Å)	y (Å)	z (Å)
C1	0.280	0.245	0.000
F2	-0.872	1.040	0.000
H3	1.126	0.935	0.000
C4	0.280	-0.585	1.265
C5	0.280	-0.585	-1.265
H6	1.189	-1.183	1.321
H7	1.189	-1.183	-1.321
H8	0.232	0.059	2.141
H9	0.232	0.059	-2.141
H10	-0.581	-1.253	1.273
H11	-0.581	-1.253	-1.273

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3995	1.0914	1.5132	1.5132	2.1475	2.1475	2.1499	2.1499	2.1463	2.1463
F2	1.3995		2.0001	2.3597	2.3597	3.3070	3.3070	2.6012	2.6012	2.6395	2.6395
H3	1.0914	2.0001		2.1507	2.1507	2.4971	2.4971	2.4800	2.4800	3.0529	3.0529
C4	1.5132	2.3597	2.1507		2.5309	1.0899	2.8061	1.0883	3.4675	1.0897	2.7626
C5	1.5132	2.3597	2.1507	2.5309		2.8061	1.0899	3.4675	1.0883	2.7626	1.0897
H6	2.1475	3.3070	2.4971	1.0899	2.8061		2.6419	1.7700	3.8010	1.7716	3.1410
H7	2.1475	3.3070	2.4971	2.8061	1.0899	2.6419		3.8010	1.7700	3.1410	1.7716
H8	2.1499	2.6012	2.4800	1.0883	3.4675	1.7700	3.8010		4.2828	1.7712	3.7474
H9	2.1499	2.6012	2.4800	3.4675	1.0883	3.8010	1.7700	4.2828		3.7474	1.7712
H10	2.1463	2.6395	3.0529	1.0897	2.7626	1.7716	3.1410	1.7712	3.7474		2.5464
H11	2.1463	2.6395	3.0529	2.7626	1.0897	3.1410	1.7716	3.7474	1.7712	2.5464

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.403	C1	C4	H10	110.023
C1	C5	H7	110.106	C1	C5	H9	110.403
C1	C5	H11	110.023	F2	C1	H3	106.166
F2	C1	C4	108.156	F2	C1	C5	108.156
H3	C1	C4	110.278	H3	C1	C5	110.278
C4	C1	C5	113.497	H7	C5	H9	108.702
H7	C5	H11	108.737	H8	C4	H10	108.829
H9	C5	H11	108.829

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

using model chemistry: QCISD(T)=FULL/Def2TZVPP

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)=FULL/Def2TZVPP

States and conformations

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