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	hartrees
Energy at 0K	-218.185126
Energy at 298.15K	-218.193017
HF Energy	-217.220825
Nuclear repulsion energy	133.505824

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3198	3058	17.01
2	A'	3190	3051	27.05
3	A'	3109	2974	22.30
4	A'	3093	2959	5.25
5	A'	1532	1465	8.06
6	A'	1512	1446	6.38
7	A'	1425	1363	20.47
8	A'	1383	1322	9.63
9	A'	1214	1161	12.13
10	A'	1165	1114	54.49
11	A'	976	933	40.20
12	A'	843	807	12.74
13	A'	479	458	2.95
14	A'	355	340	0.99
15	A'	267	255	0.08
16	A"	3196	3056	11.37
17	A"	3184	3046	0.11
18	A"	3092	2957	9.53
19	A"	1506	1441	0.02
20	A"	1500	1435	0.08
21	A"	1426	1364	31.68
22	A"	1387	1327	0.10
23	A"	1190	1139	12.12
24	A"	951	910	0.00
25	A"	939	898	0.75
26	A"	412	394	6.44
27	A"	218	208	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.280	0.243	0.000
F2	-0.872	1.035	0.000
H3	1.119	0.935	0.000
C4	0.280	-0.581	1.257
C5	0.280	-0.581	-1.257
H6	1.187	-1.175	1.312
H7	1.187	-1.175	-1.312
H8	0.230	0.058	2.131
H9	0.230	0.058	-2.131
H10	-0.575	-1.250	1.261
H11	-0.575	-1.250	-1.261

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3987	1.0881	1.5027	1.5027	2.1341	2.1341	2.1399	2.1399	2.1332	2.1332
F2	1.3987		1.9940	2.3496	2.3496	3.2938	3.2938	2.5908	2.5908	2.6276	2.6276
H3	1.0881	1.9940		2.1408	2.1408	2.4859	2.4859	2.4705	2.4705	3.0393	3.0393
C4	1.5027	2.3496	2.1408		2.5136	1.0858	2.7882	1.0842	3.4482	1.0855	2.7422
C5	1.5027	2.3496	2.1408	2.5136		2.7882	1.0858	3.4482	1.0842	2.7422	1.0855
H6	2.1341	3.2938	2.4859	1.0858	2.7882		2.6238	1.7631	3.7805	1.7642	3.1196
H7	2.1341	3.2938	2.4859	2.7882	1.0858	2.6238		3.7805	1.7631	3.1196	1.7642
H8	2.1399	2.5908	2.4705	1.0842	3.4482	1.7631	3.7805		4.2625	1.7649	3.7241
H9	2.1399	2.5908	2.4705	3.4482	1.0842	3.7805	1.7631	4.2625		3.7241	1.7649
H10	2.1332	2.6276	3.0393	1.0855	2.7422	1.7642	3.1196	1.7649	3.7241		2.5228
H11	2.1332	2.6276	3.0393	2.7422	1.0855	3.1196	1.7642	3.7241	1.7649	2.5228

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.581	C1	C4	H10	109.967
C1	C5	H7	110.022	C1	C5	H9	110.581
C1	C5	H11	109.967	F2	C1	H3	105.937
F2	C1	C4	108.103	F2	C1	C5	108.103
H3	C1	C4	110.422	H3	C1	C5	110.422
C4	C1	C5	113.516	H7	C5	H9	108.678
H7	C5	H11	108.685	H8	C4	H10	108.865
H9	C5	H11	108.865

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

using model chemistry: MP2=FULL/aug-cc-pVQZ

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: MP2=FULL/aug-cc-pVQZ

States and conformations

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