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	hartrees
Energy at 0K	-117.935102
Energy at 298.15K	-117.943529
HF Energy	-117.611770
Nuclear repulsion energy	81.607571

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3087	2992	46.03
2	A₁	3027	2934	16.35
3	A₁	3020	2927	14.50
4	A₁	1587	1538	4.38
5	A₁	1569	1521	0.32
6	A₁	1482	1437	3.76
7	A₁	1213	1175	1.79
8	A₁	848	822	0.76
9	A₁	378	367	0.18
10	A₂	3078	2983	0.00
11	A₂	1570	1522	0.00
12	A₂	1366	1324	0.00
13	A₂	960	930	0.00
14	A₂	231	223	0.00
15	B₁	3092	2997	84.66
16	B₁	3052	2958	0.65
17	B₁	1585	1536	11.66
18	B₁	1267	1228	0.41
19	B₁	773	749	4.16
20	B₁	276	268	0.00
21	B₂	3083	2988	24.92
22	B₂	3018	2925	26.29
23	B₂	1576	1527	2.31
24	B₂	1466	1421	3.60
25	B₂	1410	1366	2.01
26	B₂	1037	1005	1.99
27	B₂	961	932	2.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.606
C2	0.000	1.287	-0.268
C3	0.000	-1.287	-0.268
H4	0.887	0.000	1.258
H5	-0.887	0.000	1.258
H6	0.000	2.191	0.358
H7	0.000	-2.191	0.358
H8	0.892	1.309	-0.913
H9	-0.892	1.309	-0.913
H10	-0.892	-1.309	-0.913
H11	0.892	-1.309	-0.913

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5556	1.5556	1.1009	1.1009	2.2052	2.2052	2.1942	2.1942	2.1942	2.1942
C2	1.5556		2.5736	2.1846	2.1846	1.0997	3.5338	1.1003	1.1003	2.8194	2.8194
C3	1.5556	2.5736		2.1846	2.1846	3.5338	1.0997	2.8194	2.8194	1.1003	1.1003
H4	1.1009	2.1846	2.1846		1.7735	2.5296	2.5296	2.5351	3.0966	3.0966	2.5351
H5	1.1009	2.1846	2.1846	1.7735		2.5296	2.5296	3.0966	2.5351	2.5351	3.0966
H6	2.2052	1.0997	3.5338	2.5296	2.5296		4.3823	1.7850	1.7850	3.8288	3.8288
H7	2.2052	3.5338	1.0997	2.5296	2.5296	4.3823		3.8288	3.8288	1.7850	1.7850
H8	2.1942	1.1003	2.8194	2.5351	3.0966	1.7850	3.8288		1.7831	3.1677	2.6182
H9	2.1942	1.1003	2.8194	3.0966	2.5351	1.7850	3.8288	1.7831		2.6182	3.1677
H10	2.1942	2.8194	1.1003	3.0966	2.5351	3.8288	1.7850	3.1677	2.6182		1.7831
H11	2.1942	2.8194	1.1003	2.5351	3.0966	3.8288	1.7850	2.6182	3.1677	1.7831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.131	C1	C2	H8	110.235
C1	C2	H9	110.235	C1	C3	H7	111.131
C1	C3	H10	110.235	C1	C3	H11	110.235
C2	C1	C3	111.625	C2	C1	H4	109.451
C2	C1	H5	109.451	C3	C1	H4	109.451
C3	C1	H5	109.451	H4	C1	H5	107.313
H6	C2	H8	108.457	H6	C2	H9	108.457
H7	C3	H10	108.457	H7	C3	H11	108.457
H8	C2	H9	108.246	H10	C3	H11	108.246

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: QCISD/3-21G

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 C3H8 (Propane)

using model chemistry: QCISD/3-21G

States and conformations

All results from a given calculation for C₃H₈ (Propane)