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	hartrees
Energy at 0K	-217.469354
Energy at 298.15K	-217.477082
HF Energy	-217.088811
Nuclear repulsion energy	129.036132

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3154	3045	60.10
2	A'	3138	3029	54.75
3	A'	3104	2997	17.90
4	A'	3032	2927	14.70
5	A'	1547	1494	16.58
6	A'	1532	1479	7.51
7	A'	1468	1417	14.92
8	A'	1367	1319	18.41
9	A'	1239	1196	13.80
10	A'	1144	1104	24.75
11	A'	920	888	28.00
12	A'	780	753	23.38
13	A'	463	447	4.06
14	A'	346	334	1.81
15	A'	249	241	0.12
16	A"	3148	3038	18.37
17	A"	3131	3023	3.42
18	A"	3030	2925	18.97
19	A"	1529	1476	0.73
20	A"	1521	1468	1.50
21	A"	1454	1404	24.29
22	A"	1418	1368	8.07
23	A"	1188	1147	18.14
24	A"	977	944	0.51
25	A"	961	928	0.56
26	A"	383	369	9.33
27	A"	191	184	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.311	0.239	0.000
F2	-0.955	1.044	0.000
H3	1.113	0.996	0.000
C4	0.311	-0.588	1.300
C5	0.311	-0.588	-1.300
H6	1.249	-1.168	1.378
H7	1.249	-1.168	-1.378
H8	0.231	0.076	2.176
H9	0.231	0.076	-2.176
H10	-0.542	-1.288	1.304
H11	-0.542	-1.288	-1.304

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.5003	1.1028	1.5408	1.5408	2.1811	2.1811	2.1838	2.1838	2.1816	2.1816
F2	1.5003		2.0681	2.4407	2.4407	3.4130	3.4130	2.6606	2.6606	2.7037	2.7037
H3	1.1028	2.0681		2.2008	2.2008	2.5694	2.5694	2.5222	2.5222	3.1074	3.1074
C4	1.5408	2.4407	2.2008		2.5999	1.1053	2.8957	1.1024	3.5399	1.1032	2.8279
C5	1.5408	2.4407	2.2008	2.5999		2.8957	1.1053	3.5399	1.1024	2.8279	1.1032
H6	2.1811	3.4130	2.5694	1.1053	2.8957		2.7553	1.7949	3.9005	1.7961	3.2267
H7	2.1811	3.4130	2.5694	2.8957	1.1053	2.7553		3.9005	1.7949	3.2267	1.7961
H8	2.1838	2.6606	2.5222	1.1024	3.5399	1.7949	3.9005		4.3524	1.7938	3.8168
H9	2.1838	2.6606	2.5222	3.5399	1.1024	3.9005	1.7949	4.3524		3.8168	1.7938
H10	2.1816	2.7037	3.1074	1.1032	2.8279	1.7961	3.2267	1.7938	3.8168		2.6078
H11	2.1816	2.7037	3.1074	2.8279	1.1032	3.2267	1.7961	3.8168	1.7938	2.6078

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.315	C1	C4	H10	110.096
C1	C5	H7	109.938	C1	C5	H9	110.315
C1	C5	H11	110.096	F2	C1	H3	104.163
F2	C1	C4	106.747	F2	C1	C5	106.747
H3	C1	C4	111.638	H3	C1	C5	111.638
C4	C1	C5	115.057	H7	C5	H9	108.785
H7	C5	H11	108.836	H8	C4	H10	108.834
H9	C5	H11	108.834

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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