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	hartrees
Energy at 0K	-118.696081
Energy at 298.15K	-118.704522
HF Energy	-118.263201
Nuclear repulsion energy	82.470938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3178	2982	45.38
2	A₁	3097	2907	34.44
3	A₁	3096	2906	7.64
4	A₁	1575	1478	4.28
5	A₁	1555	1459	0.11
6	A₁	1483	1391	3.14
7	A₁	1221	1146	1.17
8	A₁	912	856	0.89
9	A₁	379	356	0.09
10	A₂	3168	2973	0.00
11	A₂	1551	1456	0.00
12	A₂	1358	1275	0.00
13	A₂	939	881	0.00
14	A₂	231	217	0.00
15	B₁	3176	2981	87.24
16	B₁	3130	2938	6.24
17	B₁	1568	1472	12.76
18	B₁	1266	1188	0.15
19	B₁	772	724	3.25
20	B₁	286	269	0.00
21	B₂	3175	2980	25.32
22	B₂	3094	2904	29.16
23	B₂	1558	1462	2.13
24	B₂	1473	1382	6.00
25	B₂	1420	1332	1.30
26	B₂	1109	1041	0.24
27	B₂	960	901	2.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.588
C2	0.000	1.271	-0.261
C3	0.000	-1.271	-0.261
H4	0.878	0.000	1.246
H5	-0.878	0.000	1.246
H6	0.000	2.170	0.365
H7	0.000	-2.170	0.365
H8	0.885	1.310	-0.906
H9	-0.885	1.310	-0.906
H10	-0.885	-1.310	-0.906
H11	0.885	-1.310	-0.906

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5287	1.5287	1.0967	1.0967	2.1813	2.1813	2.1745	2.1745	2.1745	2.1745
C2	1.5287		2.5430	2.1578	2.1578	1.0945	3.4977	1.0954	1.0954	2.8036	2.8036
C3	1.5287	2.5430		2.1578	2.1578	3.4977	1.0945	2.8036	2.8036	1.0954	1.0954
H4	1.0967	2.1578	2.1578		1.7552	2.5010	2.5010	2.5187	3.0739	3.0739	2.5187
H5	1.0967	2.1578	2.1578	1.7552		2.5010	2.5010	3.0739	2.5187	2.5187	3.0739
H6	2.1813	1.0945	3.4977	2.5010	2.5010		4.3397	1.7710	1.7710	3.8082	3.8082
H7	2.1813	3.4977	1.0945	2.5010	2.5010	4.3397		3.8082	3.8082	1.7710	1.7710
H8	2.1745	1.0954	2.8036	2.5187	3.0739	1.7710	3.8082		1.7691	3.1605	2.6190
H9	2.1745	1.0954	2.8036	3.0739	2.5187	1.7710	3.8082	1.7691		2.6190	3.1605
H10	2.1745	2.8036	1.0954	3.0739	2.5187	3.8082	1.7710	3.1605	2.6190		1.7691
H11	2.1745	2.8036	1.0954	2.5187	3.0739	3.8082	1.7710	2.6190	3.1605	1.7691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.442	C1	C2	H8	110.841
C1	C2	H9	110.841	C1	C3	H7	111.442
C1	C3	H10	110.841	C1	C3	H11	110.841
C2	C1	C3	112.559	C2	C1	H4	109.448
C2	C1	H5	109.448	C3	C1	H4	109.448
C3	C1	H5	109.448	H4	C1	H5	106.297
H6	C2	H8	107.934	H6	C2	H9	107.934
H7	C3	H10	107.934	H7	C3	H11	107.934
H8	C2	H9	107.699	H10	C3	H11	107.699

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for C₃H₈ (Propane)