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	hartrees
Energy at 0K	-117.901121
Energy at 298.15K	-117.909606
HF Energy	-117.612721
Nuclear repulsion energy	81.999669

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3163	2946	45.79
2	A₁	3104	2892	8.87
3	A₁	3097	2885	22.21
4	A₁	1618	1507	5.29
5	A₁	1601	1491	0.37
6	A₁	1516	1413	4.50
7	A₁	1241	1156	2.05
8	A₁	872	812	0.85
9	A₁	387	360	0.21
10	A₂	3154	2938	0.00
11	A₂	1601	1492	0.00
12	A₂	1395	1300	0.00
13	A₂	980	913	0.00
14	A₂	233	217	0.00
15	B₁	3169	2952	83.80
16	B₁	3128	2914	0.55
17	B₁	1617	1506	13.14
18	B₁	1294	1206	0.48
19	B₁	790	736	4.64
20	B₁	281	262	0.00
21	B₂	3159	2943	24.61
22	B₂	3092	2881	26.55
23	B₂	1607	1497	2.64
24	B₂	1499	1396	4.86
25	B₂	1444	1345	1.74
26	B₂	1063	991	1.99
27	B₂	985	918	2.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.603
C2	0.000	1.281	-0.267
C3	0.000	-1.281	-0.267
H4	0.882	0.000	1.252
H5	-0.882	0.000	1.252
H6	0.000	2.181	0.356
H7	0.000	-2.181	0.356
H8	0.887	1.305	-0.908
H9	-0.887	1.305	-0.908
H10	-0.887	-1.305	-0.908
H11	0.887	-1.305	-0.908

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5484	1.5484	1.0951	1.0951	2.1945	2.1945	2.1843	2.1843	2.1843	2.1843
C2	1.5484		2.5625	2.1738	2.1738	1.0940	3.5175	1.0945	1.0945	2.8082	2.8082
C3	1.5484	2.5625		2.1738	2.1738	3.5175	1.0940	2.8082	2.8082	1.0945	1.0945
H4	1.0951	2.1738	2.1738		1.7636	2.5170	2.5170	2.5235	3.0815	3.0815	2.5235
H5	1.0951	2.1738	2.1738	1.7636		2.5170	2.5170	3.0815	2.5235	2.5235	3.0815
H6	2.1945	1.0940	3.5175	2.5170	2.5170		4.3613	1.7752	1.7752	3.8123	3.8123
H7	2.1945	3.5175	1.0940	2.5170	2.5170	4.3613		3.8123	3.8123	1.7752	1.7752
H8	2.1843	1.0945	2.8082	2.5235	3.0815	1.7752	3.8123		1.7735	3.1554	2.6098
H9	2.1843	1.0945	2.8082	3.0815	2.5235	1.7752	3.8123	1.7735		2.6098	3.1554
H10	2.1843	2.8082	1.0945	3.0815	2.5235	3.8123	1.7752	3.1554	2.6098		1.7735
H11	2.1843	2.8082	1.0945	2.5235	3.0815	3.8123	1.7752	2.6098	3.1554	1.7735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.137	C1	C2	H8	110.293
C1	C2	H9	110.293	C1	C3	H7	111.137
C1	C3	H10	110.293	C1	C3	H11	110.293
C2	C1	C3	111.684	C2	C1	H4	109.447
C2	C1	H5	109.447	C3	C1	H4	109.447
C3	C1	H5	109.447	H4	C1	H5	107.264
H6	C2	H8	108.408	H6	C2	H9	108.408
H7	C3	H10	108.408	H7	C3	H11	108.408
H8	C2	H9	108.218	H10	C3	H11	108.218

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: CID/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: CID/3-21G

States and conformations

All results from a given calculation for C₃H₈ (Propane)