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	hartrees
Energy at 0K	-217.799437
Energy at 298.15K	-217.807327
HF Energy	-217.131823
Nuclear repulsion energy	128.043876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3221	3001	27.66
2	A'	3148	2933	60.78
3	A'	3143	2928	1.12
4	A'	3127	2914	20.96
5	A'	1578	1470	1.43
6	A'	1563	1456	5.77
7	A'	1550	1444	0.80
8	A'	1483	1382	15.60
9	A'	1474	1373	6.21
10	A'	1377	1283	2.04
11	A'	1176	1095	1.53
12	A'	1107	1032	79.33
13	A'	1072	999	39.52
14	A'	930	867	7.24
15	A'	459	427	6.79
16	A'	275	256	4.77
17	A"	3218	2998	83.79
18	A"	3203	2984	0.16
19	A"	3185	2968	1.12
20	A"	1555	1449	7.50
21	A"	1353	1261	0.06
22	A"	1307	1217	0.23
23	A"	1230	1146	2.10
24	A"	921	858	1.30
25	A"	782	729	0.69
26	A"	233	217	0.01
27	A"	130	121	4.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.117	-0.780	0.000
C2	0.000	0.728	0.000
C3	-1.462	1.173	0.000
F4	1.468	-1.154	0.000
H5	-0.336	-1.218	0.888
H6	-0.336	-1.218	-0.888
H7	0.516	1.116	-0.877
H8	0.516	1.116	0.877
H9	-1.536	2.257	0.000
H10	-1.984	0.803	-0.881
H11	-1.984	0.803	0.881

	C1	C2	C3	F4	H5	H6	H7	H8	H9	H10	H11
C1		1.5125	2.5110	1.4014	1.0891	1.0891	2.1270	2.1270	3.4578	2.7745	2.7745
C2	1.5125		1.5277	2.3868	2.1653	2.1653	1.0893	1.0893	2.1672	2.1724	2.1724
C3	2.5110	1.5277		3.7409	2.7873	2.7873	2.1639	2.1639	1.0872	1.0892	1.0892
F4	1.4014	2.3868	3.7409		2.0120	2.0120	2.6136	2.6136	4.5450	4.0648	4.0648
H5	1.0891	2.1653	2.7873	2.0120		1.7758	3.0482	2.4850	3.7820	3.1508	2.6074
H6	1.0891	2.1653	2.7873	2.0120	1.7758		2.4850	3.0482	3.7820	2.6074	3.1508
H7	2.1270	1.0893	2.1639	2.6136	3.0482	2.4850		1.7550	2.5058	2.5196	3.0726
H8	2.1270	1.0893	2.1639	2.6136	2.4850	3.0482	1.7550		2.5058	3.0726	2.5196
H9	3.4578	2.1672	1.0872	4.5450	3.7820	3.7820	2.5058	2.5058		1.7589	1.7589
H10	2.7745	2.1724	1.0892	4.0648	3.1508	2.6074	2.5196	3.0726	1.7589		1.7619
H11	2.7745	2.1724	1.0892	4.0648	2.6074	3.1508	3.0726	2.5196	1.7589	1.7619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	111.371	C1	C2	H7	108.582
C1	C2	H8	108.582	C2	C1	F4	109.932
C2	C1	H5	111.635	C2	C1	H6	111.635
C2	C3	H9	110.824	C2	C3	H10	111.123
C2	C3	H11	111.123	C3	C2	H7	110.432
C3	C2	H8	110.432	F4	C1	H5	107.107
F4	C1	H6	107.107	H5	C1	H6	109.223
H7	C2	H8	107.324	H9	C3	H10	107.833
H9	C3	H11	107.833	H10	C3	H11	107.958

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

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

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/6-31+G**

States and conformations

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