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	hartrees
Energy at 0K	-217.802288
Energy at 298.15K	-217.810156
HF Energy	-217.132817
Nuclear repulsion energy	131.969920

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3161	3032	28.50
2	A'	3156	3028	48.89
3	A'	3069	2944	10.44
4	A'	3064	2939	36.15
5	A'	1509	1448	4.19
6	A'	1488	1428	4.93
7	A'	1425	1367	20.19
8	A'	1387	1330	12.36
9	A'	1209	1160	13.75
10	A'	1172	1124	44.06
11	A'	981	941	33.95
12	A'	839	805	10.70
13	A'	477	457	3.12
14	A'	351	336	0.59
15	A'	265	254	0.20
16	A"	3158	3030	16.63
17	A"	3149	3021	0.02
18	A"	3063	2938	16.27
19	A"	1486	1425	0.05
20	A"	1480	1420	0.35
21	A"	1430	1372	27.62
22	A"	1377	1321	2.72
23	A"	1180	1132	10.78
24	A"	946	908	0.04
25	A"	931	893	0.16
26	A"	407	391	7.10
27	A"	218	209	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.280	0.246	0.000
F2	-0.872	1.046	0.000
H3	1.145	0.938	0.000
C4	0.280	-0.587	1.275
C5	0.280	-0.587	-1.275
H6	1.197	-1.199	1.335
H7	1.197	-1.199	-1.335
H8	0.233	0.068	2.161
H9	0.233	0.068	-2.161
H10	-0.597	-1.260	1.288
H11	-0.597	-1.260	-1.288

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4017	1.1076	1.5228	1.5228	2.1713	2.1713	2.1691	2.1691	2.1671	2.1671
F2	1.4017		2.0194	2.3698	2.3698	3.3322	3.3322	2.6164	2.6164	2.6555	2.6555
H3	1.1076	2.0194		2.1675	2.1675	2.5204	2.5204	2.5019	2.5019	3.0859	3.0859
C4	1.5228	2.3698	2.1675		2.5491	1.1048	2.8334	1.1035	3.4980	1.1049	2.7908
C5	1.5228	2.3698	2.1675	2.5491		2.8334	1.1048	3.4980	1.1035	2.7908	1.1049
H6	2.1713	3.3322	2.5204	1.1048	2.8334		2.6706	1.7943	3.8423	1.7956	3.1788
H7	2.1713	3.3322	2.5204	2.8334	1.1048	2.6706		3.8423	1.7943	3.1788	1.7956
H8	2.1691	2.6164	2.5019	1.1035	3.4980	1.7943	3.8423		4.3225	1.7928	3.7882
H9	2.1691	2.6164	2.5019	3.4980	1.1035	3.8423	1.7943	4.3225		3.7882	1.7928
H10	2.1671	2.6555	3.0859	1.1049	2.7908	1.7956	3.1788	1.7928	3.7882		2.5764
H11	2.1671	2.6555	3.0859	2.7908	1.1049	3.1788	1.7956	3.7882	1.7928	2.5764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.338	C1	C4	H10	110.099
C1	C5	H7	110.439	C1	C5	H9	110.338
C1	C5	H11	110.099	F2	C1	H3	106.590
F2	C1	C4	108.187	F2	C1	C5	108.187
H3	C1	C4	109.977	H3	C1	C5	109.977
C4	C1	C5	113.649	H7	C5	H9	108.680
H7	C5	H11	108.696	H8	C4	H10	108.537
H9	C5	H11	108.537

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

using model chemistry: QCISD/cc-pVDZ

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: QCISD/cc-pVDZ

States and conformations

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