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	hartrees
Energy at 0K	-217.782882
Energy at 298.15K	-217.790812
HF Energy	-217.123065
Nuclear repulsion energy	128.328082

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3233	3233	26.73
2	A'	3154	3154	29.85
3	A'	3139	3139	30.54
4	A'	3134	3134	20.28
5	A'	1596	1596	1.26
6	A'	1577	1577	4.73
7	A'	1562	1562	0.32
8	A'	1504	1504	18.91
9	A'	1482	1482	2.79
10	A'	1386	1386	3.10
11	A'	1182	1182	3.53
12	A'	1137	1137	83.32
13	A'	1087	1087	7.72
14	A'	935	935	7.09
15	A'	463	463	5.82
16	A'	275	275	3.66
17	A"	3223	3223	72.34
18	A"	3204	3204	9.44
19	A"	3183	3183	15.35
20	A"	1570	1570	6.01
21	A"	1365	1365	0.14
22	A"	1320	1320	0.26
23	A"	1244	1244	2.10
24	A"	926	926	1.77
25	A"	786	786	0.79
26	A"	242	242	0.01
27	A"	138	138	3.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.121	-0.785	0.000
C2	0.000	0.723	0.000
C3	-1.457	1.176	0.000
F4	1.462	-1.149	0.000
H5	-0.347	-1.217	0.885
H6	-0.347	-1.217	-0.885
H7	0.519	1.109	-0.876
H8	0.519	1.109	0.876
H9	-1.525	2.260	0.000
H10	-1.982	0.809	-0.880
H11	-1.982	0.809	0.880

	C1	C2	C3	F4	H5	H6	H7	H8	H9	H10	H11
C1		1.5128	2.5169	1.3898	1.0902	1.0902	2.1249	2.1249	3.4620	2.7813	2.7813
C2	1.5128		1.5255	2.3753	2.1601	2.1601	1.0889	1.0889	2.1658	2.1699	2.1699
C3	2.5169	1.5255		3.7317	2.7821	2.7821	2.1620	2.1620	1.0865	1.0886	1.0886
F4	1.3898	2.3753	3.7317		2.0154	2.0154	2.5996	2.5996	4.5332	4.0580	4.0580
H5	1.0902	2.1601	2.7821	2.0154		1.7696	3.0434	2.4825	3.7765	3.1446	2.6028
H6	1.0902	2.1601	2.7821	2.0154	1.7696		2.4825	3.0434	3.7765	2.6028	3.1446
H7	2.1249	1.0889	2.1620	2.5996	3.0434	2.4825		1.7515	2.5041	2.5186	3.0702
H8	2.1249	1.0889	2.1620	2.5996	2.4825	3.0434	1.7515		2.5041	3.0702	2.5186
H9	3.4620	2.1658	1.0865	4.5332	3.7765	3.7765	2.5041	2.5041		1.7578	1.7578
H10	2.7813	2.1699	1.0886	4.0580	3.1446	2.6028	2.5186	3.0702	1.7578		1.7599
H11	2.7813	2.1699	1.0886	4.0580	2.6028	3.1446	3.0702	2.5186	1.7578	1.7599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	111.869	C1	C2	H7	108.412
C1	C2	H8	108.412	C2	C1	F4	109.764
C2	C1	H5	111.128	C2	C1	H6	111.128
C2	C3	H9	110.912	C2	C3	H10	111.119
C2	C3	H11	111.119	C3	C2	H7	110.459
C3	C2	H8	110.459	F4	C1	H5	108.105
F4	C1	H6	108.105	H5	C1	H6	108.509
H7	C2	H8	107.075	H9	C3	H10	107.837
H9	C3	H11	107.837	H10	C3	H11	107.867

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

using model chemistry: MP3=FULL/6-31G**

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/6-31G**

States and conformations

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