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	hartrees
Energy at 0K	-218.026253
Energy at 298.15K	-218.020207
HF Energy	-217.114656
Nuclear repulsion energy	133.265173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3280	3280	75.03	65.98	0.54	0.70
2	A'	3274	3274	64.39	85.93	0.75	0.86
3	A'	3228	3228	22.99	150.61	0.38	0.55
4	A'	3199	3199	13.85	176.97	0.01	0.01
5	A'	1646	1646	4.22	4.06	0.75	0.86
6	A'	1626	1626	3.65	18.40	0.75	0.86
7	A'	1561	1561	20.45	3.74	0.57	0.73
8	A'	1514	1514	16.44	7.77	0.71	0.83
9	A'	1304	1304	12.19	2.50	0.30	0.46
10	A'	1268	1268	58.43	2.56	0.74	0.85
11	A'	1050	1050	57.50	8.39	0.67	0.80
12	A'	880	880	10.36	10.09	0.16	0.28
13	A'	509	509	4.15	0.41	0.07	0.14
14	A'	373	373	0.78	0.17	0.18	0.30
15	A'	276	276	0.21	0.02	0.73	0.84
16	A"	3275	3275	25.46	58.88	0.75	0.86
17	A"	3264	3264	0.19	6.87	0.75	0.86
18	A"	3193	3193	21.01	3.73	0.75	0.86
19	A"	1622	1622	0.00	14.26	0.75	0.86
20	A"	1617	1617	0.20	17.21	0.75	0.86
21	A"	1560	1560	23.60	0.76	0.75	0.86
22	A"	1501	1501	4.99	2.42	0.75	0.86
23	A"	1249	1249	14.34	6.31	0.75	0.86
24	A"	1019	1019	0.00	4.31	0.75	0.86
25	A"	1007	1007	0.21	0.87	0.75	0.86
26	A"	436	436	8.05	0.65	0.75	0.86
27	A"	233	233	0.00	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.276	0.246	0.000
F2	-0.859	1.031	0.000
H3	1.120	0.931	0.000
C4	0.276	-0.581	1.272
C5	0.276	-0.581	-1.272
H6	1.180	-1.182	1.339
H7	1.180	-1.182	-1.339
H8	0.228	0.068	2.143
H9	0.228	0.068	-2.143
H10	-0.584	-1.246	1.293
H11	-0.584	-1.246	-1.293

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.3797	1.0868	1.5174	1.5174	2.1564	2.1564	2.1514	2.1514	2.1535	2.1535
F2	1.3797		1.9816	2.3460	2.3460	3.2935	3.2935	2.5892	2.5892	2.6324	2.6324
H3	1.0868	1.9816		2.1484	2.1484	2.5020	2.5020	2.4769	2.4769	3.0518	3.0518
C4	1.5174	2.3460	2.1484		2.5448	1.0879	2.8282	1.0868	3.4772	1.0877	2.7861
C5	1.5174	2.3460	2.1484	2.5448		2.8282	1.0879	3.4772	1.0868	2.7861	1.0877
H6	2.1564	3.2935	2.5020	1.0879	2.8282		2.6781	1.7648	3.8204	1.7660	3.1690
H7	2.1564	3.2935	2.5020	2.8282	1.0879	2.6781		3.8204	1.7648	3.1690	1.7660
H8	2.1514	2.5892	2.4769	1.0868	3.4772	1.7648	3.8204		4.2869	1.7632	3.7673
H9	2.1514	2.5892	2.4769	3.4772	1.0868	3.8204	1.7648	4.2869		3.7673	1.7632
H10	2.1535	2.6324	3.0518	1.0877	2.7861	1.7660	3.1690	1.7632	3.7673		2.5854
H11	2.1535	2.6324	3.0518	2.7861	1.0877	3.1690	1.7660	3.7673	1.7632	2.5854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.310	C1	C4	H10	110.421
C1	C5	H7	110.643	C1	C5	H9	110.310
C1	C5	H11	110.421	F2	C1	H3	106.307
F2	C1	C4	108.048	F2	C1	C5	108.048
H3	C1	C4	110.071	H3	C1	C5	110.071
C4	C1	C5	113.970	H7	C5	H9	108.493
H7	C5	H11	108.541	H8	C4	H10	108.365
H9	C5	H11	108.365

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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