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	hartrees
Energy at 0K	-218.046603
Energy at 298.15K	-218.054547
HF Energy	-217.204050
Nuclear repulsion energy	133.609172

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3188	3027	18.69
2	A'	3183	3022	33.34
3	A'	3111	2953	25.03
4	A'	3102	2945	5.13
5	A'	1537	1460	7.12
6	A'	1518	1442	6.14
7	A'	1429	1356	25.11
8	A'	1402	1331	5.70
9	A'	1217	1155	13.55
10	A'	1177	1117	48.96
11	A'	985	935	34.88
12	A'	849	806	9.30
13	A'	481	457	2.87
14	A'	358	340	0.82
15	A'	278	264	0.10
16	A"	3186	3025	13.18
17	A"	3176	3015	0.01
18	A"	3100	2943	9.79
19	A"	1512	1436	0.00
20	A"	1506	1430	0.04
21	A"	1431	1359	33.19
22	A"	1393	1322	0.01
23	A"	1193	1133	12.31
24	A"	953	904	0.00
25	A"	941	893	0.62
26	A"	415	394	6.48
27	A"	229	218	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.280	0.245	0.000
F2	-0.871	1.033	0.000
H3	1.121	0.933	0.000
C4	0.280	-0.581	1.256
C5	0.280	-0.581	-1.256
H6	1.183	-1.181	1.311
H7	1.183	-1.181	-1.311
H8	0.233	0.058	2.131
H9	0.233	0.058	-2.131
H10	-0.580	-1.243	1.260
H11	-0.580	-1.243	-1.260

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3952	1.0862	1.5034	1.5034	2.1374	2.1374	2.1396	2.1396	2.1306	2.1306
F2	1.3952		1.9949	2.3469	2.3469	3.2925	3.2925	2.5906	2.5906	2.6173	2.6173
H3	1.0862	1.9949		2.1390	2.1390	2.4884	2.4884	2.4689	2.4689	3.0350	3.0350
C4	1.5034	2.3469	2.1390		2.5126	1.0853	2.7872	1.0837	3.4471	1.0852	2.7401
C5	1.5034	2.3469	2.1390	2.5126		2.7872	1.0853	3.4471	1.0837	2.7401	1.0852
H6	2.1374	3.2925	2.4884	1.0853	2.7872		2.6229	1.7630	3.7797	1.7640	3.1177
H7	2.1374	3.2925	2.4884	2.7872	1.0853	2.6229		3.7797	1.7630	3.1177	1.7640
H8	2.1396	2.5906	2.4689	1.0837	3.4471	1.7630	3.7797		4.2618	1.7635	3.7212
H9	2.1396	2.5906	2.4689	3.4471	1.0837	3.7797	1.7630	4.2618		3.7212	1.7635
H10	2.1306	2.6173	3.0350	1.0852	2.7401	1.7640	3.1177	1.7635	3.7212		2.5195
H11	2.1306	2.6173	3.0350	2.7401	1.0852	3.1177	1.7640	3.7212	1.7635	2.5195

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.540	C1	C4	H10	109.735
C1	C5	H7	110.268	C1	C5	H9	110.540
C1	C5	H11	109.735	F2	C1	H3	106.354
F2	C1	C4	108.069	F2	C1	C5	108.069
H3	C1	C4	110.343	H3	C1	C5	110.343
C4	C1	C5	113.367	H7	C5	H9	108.739
H7	C5	H11	108.724	H8	C4	H10	108.793
H9	C5	H11	108.793

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

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

States and conformations

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