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	hartrees
Energy at 0K	-217.888487
Energy at 298.15K	-217.896389
HF Energy	-217.162850
Nuclear repulsion energy	128.198749

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	3162	27.60
2	A'	3095	3095	46.54
3	A'	3087	3087	20.65
4	A'	3075	3075	16.35
5	A'	1568	1568	3.75
6	A'	1549	1549	7.29
7	A'	1534	1534	1.50
8	A'	1485	1485	17.62
9	A'	1461	1461	6.18
10	A'	1369	1369	0.44
11	A'	1170	1170	4.05
12	A'	1129	1129	94.56
13	A'	1078	1078	7.47
14	A'	924	924	9.12
15	A'	464	464	6.75
16	A'	276	276	3.79
17	A"	3159	3159	88.85
18	A"	3141	3141	0.97
19	A"	3125	3125	4.35
20	A"	1542	1542	9.95
21	A"	1356	1356	0.02
22	A"	1310	1310	0.81
23	A"	1231	1231	1.86
24	A"	917	917	2.15
25	A"	775	775	1.68
26	A"	235	235	0.00
27	A"	134	134	3.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.128	-0.784	0.000
C2	0.000	0.726	0.000
C3	-1.463	1.170	0.000
F4	1.462	-1.147	0.000
H5	-0.335	-1.221	0.891
H6	-0.335	-1.221	-0.891
H7	0.520	1.117	-0.880
H8	0.520	1.117	0.880
H9	-1.542	2.259	0.000
H10	-1.990	0.799	-0.884
H11	-1.990	0.799	0.884

	C1	C2	C3	F4	H5	H6	H7	H8	H9	H10	H11
C1		1.5152	2.5200	1.3829	1.0948	1.0948	2.1311	2.1311	3.4714	2.7885	2.7885
C2	1.5152		1.5289	2.3759	2.1668	2.1668	1.0945	1.0945	2.1746	2.1790	2.1790
C3	2.5200	1.5289		3.7317	2.7898	2.7898	2.1702	2.1702	1.0921	1.0941	1.0941
F4	1.3829	2.3759	3.7317		2.0076	2.0076	2.6050	2.6050	4.5416	4.0608	4.0608
H5	1.0948	2.1668	2.7898	2.0076		1.7812	3.0548	2.4894	3.7898	3.1576	2.6118
H6	1.0948	2.1668	2.7898	2.0076	1.7812		2.4894	3.0548	3.7898	2.6118	3.1576
H7	2.1311	1.0945	2.1702	2.6050	3.0548	2.4894		1.7600	2.5161	2.5304	3.0846
H8	2.1311	1.0945	2.1702	2.6050	2.4894	3.0548	1.7600		2.5161	3.0846	2.5304
H9	3.4714	2.1746	1.0921	4.5416	3.7898	3.7898	2.5161	2.5161		1.7648	1.7648
H10	2.7885	2.1790	1.0941	4.0608	3.1576	2.6118	2.5304	3.0846	1.7648		1.7680
H11	2.7885	2.1790	1.0941	4.0608	2.6118	3.1576	3.0846	2.5304	1.7648	1.7680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	111.747	C1	C2	H7	108.417
C1	C2	H8	108.417	C2	C1	F4	110.045
C2	C1	H5	111.218	C2	C1	H6	111.218
C2	C3	H9	111.036	C2	C3	H10	111.262
C2	C3	H11	111.262	C3	C2	H7	110.537
C3	C2	H8	110.537	F4	C1	H5	107.674
F4	C1	H6	107.674	H5	C1	H6	108.879
H7	C2	H8	107.033	H9	C3	H10	107.657
H9	C3	H11	107.657	H10	C3	H11	107.795

All results from a given calculation for CH₂FCH₂CH₃ (1-Fluoropropane)

using model chemistry: MP3=FULL/6-311G*

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 CH2FCH2CH3 (1-Fluoropropane)

using model chemistry: MP3=FULL/6-311G*

States and conformations

All results from a given calculation for CH₂FCH₂CH₃ (1-Fluoropropane)