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	hartrees
Energy at 0K	-117.933467
Energy at 298.15K	-117.941894
HF Energy	-117.611919
Nuclear repulsion energy	81.672007

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3101	2966	44.45
2	A₁	3039	2907	17.65
3	A₁	3033	2901	12.47
4	A₁	1590	1521	4.75
5	A₁	1573	1505	0.33
6	A₁	1487	1422	4.03
7	A₁	1217	1164	1.83
8	A₁	854	817	0.79
9	A₁	380	363	0.19
10	A₂	3092	2958	0.00
11	A₂	1574	1506	0.00
12	A₂	1370	1311	0.00
13	A₂	963	921	0.00
14	A₂	231	221	0.00
15	B₁	3106	2971	82.08
16	B₁	3065	2932	0.82
17	B₁	1589	1520	12.06
18	B₁	1271	1216	0.43
19	B₁	775	741	4.28
20	B₁	277	265	0.00
21	B₂	3097	2962	23.98
22	B₂	3030	2899	25.27
23	B₂	1579	1511	2.43
24	B₂	1470	1406	4.20
25	B₂	1416	1355	1.80
26	B₂	1043	998	1.84
27	B₂	965	923	2.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.605
C2	0.000	1.286	-0.268
C3	0.000	-1.286	-0.268
H4	0.886	0.000	1.257
H5	-0.886	0.000	1.257
H6	0.000	2.189	0.358
H7	0.000	-2.189	0.358
H8	0.891	1.309	-0.912
H9	-0.891	1.309	-0.912
H10	-0.891	-1.309	-0.912
H11	0.891	-1.309	-0.912

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5540	1.5540	1.1003	1.1003	2.2031	2.2031	2.1924	2.1924	2.1924	2.1924
C2	1.5540		2.5717	2.1826	2.1826	1.0991	3.5311	1.0996	1.0996	2.8178	2.8178
C3	1.5540	2.5717		2.1826	2.1826	3.5311	1.0991	2.8178	2.8178	1.0996	1.0996
H4	1.1003	2.1826	2.1826		1.7723	2.5271	2.5271	2.5332	3.0944	3.0944	2.5332
H5	1.1003	2.1826	2.1826	1.7723		2.5271	2.5271	3.0944	2.5332	2.5332	3.0944
H6	2.2031	1.0991	3.5311	2.5271	2.5271		4.3786	1.7839	1.7839	3.8265	3.8265
H7	2.2031	3.5311	1.0991	2.5271	2.5271	4.3786		3.8265	3.8265	1.7839	1.7839
H8	2.1924	1.0996	2.8178	2.5332	3.0944	1.7839	3.8265		1.7820	3.1663	2.6173
H9	2.1924	1.0996	2.8178	3.0944	2.5332	1.7839	3.8265	1.7820		2.6173	3.1663
H10	2.1924	2.8178	1.0996	3.0944	2.5332	3.8265	1.7839	3.1663	2.6173		1.7820
H11	2.1924	2.8178	1.0996	2.5332	3.0944	3.8265	1.7839	2.6173	3.1663	1.7820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.121	C1	C2	H8	110.244
C1	C2	H9	110.244	C1	C3	H7	111.121
C1	C3	H10	110.244	C1	C3	H11	110.244
C2	C1	C3	111.677	C2	C1	H4	109.444
C2	C1	H5	109.444	C3	C1	H4	109.444
C3	C1	H5	109.444	H4	C1	H5	107.286
H6	C2	H8	108.454	H6	C2	H9	108.454
H7	C3	H10	108.454	H7	C3	H11	108.454
H8	C2	H9	108.245	H10	C3	H11	108.245

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: CCD/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: CCD/3-21G*

States and conformations

All results from a given calculation for C₃H₈ (Propane)