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	hartrees
Energy at 0K	-217.824669
Energy at 298.15K	-217.832545
HF Energy	-217.162342
Nuclear repulsion energy	127.833230

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3119	2986	32.11
2	A'	3055	2925	53.57
3	A'	3050	2920	17.22
4	A'	3036	2907	18.57
5	A'	1557	1490	3.01
6	A'	1540	1474	6.19
7	A'	1525	1460	1.32
8	A'	1474	1411	16.63
9	A'	1453	1391	5.17
10	A'	1360	1302	0.59
11	A'	1162	1112	1.69
12	A'	1102	1055	83.43
13	A'	1065	1020	19.53
14	A'	916	877	8.73
15	A'	458	439	6.58
16	A'	273	262	3.86
17	A"	3118	2985	99.76
18	A"	3100	2968	0.12
19	A"	3084	2953	3.18
20	A"	1534	1468	8.97
21	A"	1345	1288	0.05
22	A"	1299	1244	0.54
23	A"	1223	1171	1.91
24	A"	911	872	2.03
25	A"	771	738	1.36
26	A"	234	224	0.00
27	A"	133	127	3.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.125	-0.786	0.000
C2	0.000	0.726	0.000
C3	-1.464	1.176	0.000
F4	1.466	-1.152	0.000
H5	-0.338	-1.224	0.893
H6	-0.338	-1.224	-0.893
H7	0.523	1.117	-0.882
H8	0.523	1.117	0.882
H9	-1.539	2.269	0.000
H10	-1.994	0.806	-0.886
H11	-1.994	0.806	0.886

	C1	C2	C3	F4	H5	H6	H7	H8	H9	H10	H11
C1		1.5175	2.5246	1.3904	1.0976	1.0976	2.1353	2.1353	3.4787	2.7948	2.7948
C2	1.5175		1.5314	2.3826	2.1721	2.1721	1.0976	1.0976	2.1792	2.1839	2.1839
C3	2.5246	1.5314		3.7422	2.7977	2.7977	2.1746	2.1746	1.0953	1.0973	1.0973
F4	1.3904	2.3826	3.7422		2.0149	2.0149	2.6109	2.6109	4.5534	4.0735	4.0735
H5	1.0976	2.1721	2.7977	2.0149		1.7869	3.0624	2.4950	3.8003	3.1675	2.6201
H6	1.0976	2.1721	2.7977	2.0149	1.7869		2.4950	3.0624	3.8003	2.6201	3.1675
H7	2.1353	1.0976	2.1746	2.6109	3.0624	2.4950		1.7646	2.5214	2.5363	3.0921
H8	2.1353	1.0976	2.1746	2.6109	2.4950	3.0624	1.7646		2.5214	3.0921	2.5363
H9	3.4787	2.1792	1.0953	4.5534	3.8003	3.8003	2.5214	2.5214		1.7697	1.7697
H10	2.7948	2.1839	1.0973	4.0735	3.1675	2.6201	2.5363	3.0921	1.7697		1.7729
H11	2.7948	2.1839	1.0973	4.0735	2.6201	3.1675	3.0921	2.5363	1.7697	1.7729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	111.790	C1	C2	H7	108.412
C1	C2	H8	108.412	C2	C1	F4	109.966
C2	C1	H5	111.303	C2	C1	H6	111.303
C2	C3	H9	111.037	C2	C3	H10	111.288
C2	C3	H11	111.288	C3	C2	H7	110.534
C3	C2	H8	110.534	F4	C1	H5	107.576
F4	C1	H6	107.576	H5	C1	H6	108.972
H7	C2	H8	107.002	H9	C3	H10	107.634
H9	C3	H11	107.634	H10	C3	H11	107.783

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

using model chemistry: QCISD/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: QCISD/6-311G*

States and conformations

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