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	hartrees
Energy at 0K	-218.075014
Energy at 298.15K	-218.082881
HF Energy	-217.206808
Nuclear repulsion energy	133.391187

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	3022	16.85
2	A'	3170	3016	29.79
3	A'	3093	2943	23.24
4	A'	3086	2936	4.93
5	A'	1536	1461	8.50
6	A'	1517	1443	5.38
7	A'	1429	1360	19.33
8	A'	1383	1316	11.22
9	A'	1217	1158	10.36
10	A'	1165	1108	51.34
11	A'	974	926	41.52
12	A'	844	803	13.82
13	A'	479	456	2.99
14	A'	357	340	0.94
15	A'	257	245	0.07
16	A"	3175	3020	12.21
17	A"	3164	3010	0.00
18	A"	3084	2934	9.96
19	A"	1510	1437	0.01
20	A"	1504	1431	0.05
21	A"	1431	1362	31.15
22	A"	1391	1324	0.09
23	A"	1190	1132	11.90
24	A"	955	909	0.01
25	A"	938	893	0.67
26	A"	414	394	6.51
27	A"	201	191	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.282	0.243	0.000
F2	-0.877	1.032	0.000
H3	1.119	0.941	0.000
C4	0.282	-0.580	1.257
C5	0.282	-0.580	-1.257
H6	1.192	-1.174	1.314
H7	1.192	-1.174	-1.314
H8	0.229	0.062	2.132
H9	0.229	0.062	-2.132
H10	-0.574	-1.251	1.260
H11	-0.574	-1.251	-1.260

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4022	1.0895	1.5028	1.5028	2.1356	2.1356	2.1400	2.1400	2.1336	2.1336
F2	1.4022		1.9978	2.3501	2.3501	3.2970	3.2970	2.5900	2.5900	2.6250	2.6250
H3	1.0895	1.9978		2.1434	2.1434	2.4908	2.4908	2.4714	2.4714	3.0424	3.0424
C4	1.5028	2.3501	2.1434		2.5149	1.0875	2.7916	1.0861	3.4499	1.0874	2.7427
C5	1.5028	2.3501	2.1434	2.5149		2.7916	1.0875	3.4499	1.0861	2.7427	1.0874
H6	2.1356	3.2970	2.4908	1.0875	2.7916		2.6286	1.7668	3.7853	1.7678	3.1228
H7	2.1356	3.2970	2.4908	2.7916	1.0875	2.6286		3.7853	1.7668	3.1228	1.7678
H8	2.1400	2.5900	2.4714	1.0861	3.4499	1.7668	3.7853		4.2635	1.7684	3.7249
H9	2.1400	2.5900	2.4714	3.4499	1.0861	3.7853	1.7668	4.2635		3.7249	1.7684
H10	2.1336	2.6250	3.0424	1.0874	2.7427	1.7678	3.1228	1.7684	3.7249		2.5210
H11	2.1336	2.6250	3.0424	2.7427	1.0874	3.1228	1.7678	3.7249	1.7684	2.5210

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.474	C1	C4	H10	109.883
C1	C5	H7	110.039	C1	C5	H9	110.474
C1	C5	H11	109.883	F2	C1	H3	105.918
F2	C1	C4	107.945	F2	C1	C5	107.945
H3	C1	C4	110.541	H3	C1	C5	110.541
C4	C1	C5	113.592	H7	C5	H9	108.754
H7	C5	H11	108.749	H8	C4	H10	108.903
H9	C5	H11	108.903

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

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

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-pVTZ

States and conformations

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