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	hartrees
Energy at 0K	-217.850737
Energy at 298.15K	-217.858586
HF Energy	-217.147792
Nuclear repulsion energy	131.553084

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3139	3024	32.72
2	A'	3128	3014	48.87
3	A'	3071	2959	19.76
4	A'	3046	2935	10.53
5	A'	1502	1447	5.22
6	A'	1483	1429	4.48
7	A'	1416	1364	16.91
8	A'	1367	1317	10.84
9	A'	1202	1158	10.15
10	A'	1149	1107	48.08
11	A'	963	928	42.43
12	A'	827	797	16.41
13	A'	475	458	3.44
14	A'	353	340	0.89
15	A'	258	248	0.09
16	A"	3135	3021	19.43
17	A"	3121	3007	0.39
18	A"	3043	2931	13.45
19	A"	1478	1424	0.00
20	A"	1474	1420	0.16
21	A"	1422	1370	24.70
22	A"	1373	1323	0.73
23	A"	1177	1134	10.30
24	A"	943	908	0.03
25	A"	929	895	0.30
26	A"	408	393	7.20
27	A"	213	205	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.285	0.243	0.000
F2	-0.887	1.045	0.000
H3	1.131	0.954	0.000
C4	0.285	-0.587	1.278
C5	0.285	-0.587	-1.278
H6	1.210	-1.187	1.336
H7	1.210	-1.187	-1.336
H8	0.235	0.068	2.163
H9	0.235	0.068	-2.163
H10	-0.582	-1.269	1.289
H11	-0.582	-1.269	-1.289

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4199	1.1046	1.5236	1.5236	2.1647	2.1647	2.1702	2.1702	2.1683	2.1683
F2	1.4199		2.0199	2.3807	2.3807	3.3410	3.3410	2.6247	2.6247	2.6663	2.6663
H3	1.1046	2.0199		2.1728	2.1728	2.5249	2.5249	2.5030	2.5030	3.0883	3.0883
C4	1.5236	2.3807	2.1728		2.5552	1.1041	2.8365	1.1019	3.5022	1.1034	2.7939
C5	1.5236	2.3807	2.1728	2.5552		2.8365	1.1041	3.5022	1.1019	2.7939	1.1034
H6	2.1647	3.3410	2.5249	1.1041	2.8365		2.6719	1.7914	3.8425	1.7941	3.1793
H7	2.1647	3.3410	2.5249	2.8365	1.1041	2.6719		3.8425	1.7914	3.1793	1.7941
H8	2.1702	2.6247	2.5030	1.1019	3.5022	1.7914	3.8425		4.3251	1.7936	3.7906
H9	2.1702	2.6247	2.5030	3.5022	1.1019	3.8425	1.7914	4.3251		3.7906	1.7936
H10	2.1683	2.6663	3.0883	1.1034	2.7939	1.7941	3.1793	1.7936	3.7906		2.5784
H11	2.1683	2.6663	3.0883	2.7939	1.1034	3.1793	1.7941	3.7906	1.7936	2.5784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.477	C1	C4	H10	110.233
C1	C5	H7	109.912	C1	C5	H9	110.477
C1	C5	H11	110.233	F2	C1	H3	105.600
F2	C1	C4	107.905	F2	C1	C5	107.905
H3	C1	C4	110.521	H3	C1	C5	110.521
C4	C1	C5	113.974	H7	C5	H9	108.598
H7	C5	H11	108.733	H8	C4	H10	108.844
H9	C5	H11	108.844

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

using model chemistry: CCSD/aug-cc-pVDZ

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: CCSD/aug-cc-pVDZ

States and conformations

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