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	hartrees
Energy at 0K	-118.702100
Energy at 298.15K	-118.710529
HF Energy	-118.262992
Nuclear repulsion energy	82.381459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3153	2984	46.62
2	A₁	3072	2907	0.00
3	A₁	3071	2907	42.30
4	A₁	1567	1484	4.09
5	A₁	1547	1465	0.12
6	A₁	1477	1398	2.97
7	A₁	1217	1152	1.13
8	A₁	908	860	0.85
9	A₁	378	358	0.09
10	A₂	3143	2975	0.00
11	A₂	1544	1461	0.00
12	A₂	1353	1281	0.00
13	A₂	936	886	0.00
14	A₂	229	217	0.00
15	B₁	3152	2983	88.19
16	B₁	3106	2940	6.64
17	B₁	1560	1477	12.19
18	B₁	1261	1194	0.14
19	B₁	769	728	3.10
20	B₁	285	270	0.00
21	B₂	3150	2982	25.70
22	B₂	3069	2905	30.33
23	B₂	1550	1468	2.00
24	B₂	1467	1388	5.66
25	B₂	1415	1340	1.28
26	B₂	1104	1045	0.24
27	B₂	957	906	2.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.588
C2	0.000	1.273	-0.261
C3	0.000	-1.273	-0.261
H4	0.880	0.000	1.247
H5	-0.880	0.000	1.247
H6	0.000	2.172	0.367
H7	0.000	-2.172	0.367
H8	0.886	1.312	-0.907
H9	-0.886	1.312	-0.907
H10	-0.886	-1.312	-0.907
H11	0.886	-1.312	-0.907

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5299	1.5299	1.0988	1.0988	2.1834	2.1834	2.1776	2.1776	2.1776	2.1776
C2	1.5299		2.5455	2.1601	2.1601	1.0970	3.5017	1.0976	1.0976	2.8078	2.8078
C3	1.5299	2.5455		2.1601	2.1601	3.5017	1.0970	2.8078	2.8078	1.0976	1.0976
H4	1.0988	2.1601	2.1601		1.7591	2.5032	2.5032	2.5217	3.0786	3.0786	2.5217
H5	1.0988	2.1601	2.1601	1.7591		2.5032	2.5032	3.0786	2.5217	2.5217	3.0786
H6	2.1834	1.0970	3.5017	2.5032	2.5032		4.3444	1.7746	1.7746	3.8142	3.8142
H7	2.1834	3.5017	1.0970	2.5032	2.5032	4.3444		3.8142	3.8142	1.7746	1.7746
H8	2.1776	1.0976	2.8078	2.5217	3.0786	1.7746	3.8142		1.7729	3.1666	2.6237
H9	2.1776	1.0976	2.8078	3.0786	2.5217	1.7746	3.8142	1.7729		2.6237	3.1666
H10	2.1776	2.8078	1.0976	3.0786	2.5217	3.8142	1.7746	3.1666	2.6237		1.7729
H11	2.1776	2.8078	1.0976	2.5217	3.0786	3.8142	1.7746	2.6237	3.1666	1.7729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.377	C1	C2	H8	110.870
C1	C2	H9	110.870	C1	C3	H7	111.377
C1	C3	H10	110.870	C1	C3	H11	110.870
C2	C1	C3	112.596	C2	C1	H4	109.426
C2	C1	H5	109.426	C3	C1	H4	109.426
C3	C1	H5	109.426	H4	C1	H5	106.348
H6	C2	H8	107.924	H6	C2	H9	107.924
H7	C3	H10	107.924	H7	C3	H11	107.924
H8	C2	H9	107.726	H10	C3	H11	107.726

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

All results from a given calculation for C₃H₈ (Propane)