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	hartrees
Energy at 0K	-118.879643
Energy at 298.15K	-118.888046
HF Energy	-118.304697
Nuclear repulsion energy	82.661046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3133	2955	44.74
2	A₁	3056	2882	24.81
3	A₁	3053	2879	18.57
4	A₁	1538	1450	5.17
5	A₁	1517	1430	0.01
6	A₁	1445	1362	2.60
7	A₁	1196	1128	0.85
8	A₁	896	845	0.66
9	A₁	370	349	0.04
10	A₂	3121	2944	0.00
11	A₂	1516	1429	0.00
12	A₂	1335	1259	0.00
13	A₂	919	867	0.00
14	A₂	223	210	0.00
15	B₁	3131	2953	85.42
16	B₁	3087	2912	3.11
17	B₁	1533	1446	12.65
18	B₁	1232	1162	0.05
19	B₁	756	713	2.14
20	B₁	278	263	0.00
21	B₂	3131	2953	27.03
22	B₂	3050	2876	31.69
23	B₂	1523	1436	1.78
24	B₂	1432	1351	4.48
25	B₂	1391	1311	1.59
26	B₂	1087	1025	0.49
27	B₂	942	888	1.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.590
C2	0.000	1.268	-0.261
C3	0.000	-1.268	-0.261
H4	0.875	0.000	1.245
H5	-0.875	0.000	1.245
H6	0.000	2.166	0.358
H7	0.000	-2.166	0.358
H8	0.881	1.305	-0.904
H9	-0.881	1.305	-0.904
H10	-0.881	-1.305	-0.904
H11	0.881	-1.305	-0.904

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5268	1.5268	1.0930	1.0930	2.1786	2.1786	2.1706	2.1706	2.1706	2.1706
C2	1.5268		2.5357	2.1541	2.1541	1.0907	3.4893	1.0919	1.0919	2.7943	2.7943
C3	1.5268	2.5357		2.1541	2.1541	3.4893	1.0907	2.7943	2.7943	1.0919	1.0919
H4	1.0930	2.1541	2.1541		1.7498	2.4990	2.4990	2.5144	3.0669	3.0669	2.5144
H5	1.0930	2.1541	2.1541	1.7498		2.4990	2.4990	3.0669	2.5144	2.5144	3.0669
H6	2.1786	1.0907	3.4893	2.4990	2.4990		4.3324	1.7641	1.7641	3.7968	3.7968
H7	2.1786	3.4893	1.0907	2.4990	2.4990	4.3324		3.7968	3.7968	1.7641	1.7641
H8	2.1706	1.0919	2.7943	2.5144	3.0669	1.7641	3.7968		1.7625	3.1487	2.6092
H9	2.1706	1.0919	2.7943	3.0669	2.5144	1.7641	3.7968	1.7625		2.6092	3.1487
H10	2.1706	2.7943	1.0919	3.0669	2.5144	3.7968	1.7641	3.1487	2.6092		1.7625
H11	2.1706	2.7943	1.0919	2.5144	3.0669	3.7968	1.7641	2.6092	3.1487	1.7625

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.592	C1	C2	H8	110.878
C1	C2	H9	110.878	C1	C3	H7	111.592
C1	C3	H10	110.878	C1	C3	H11	110.878
C2	C1	C3	112.281	C2	C1	H4	109.509
C2	C1	H5	109.509	C3	C1	H4	109.509
C3	C1	H5	109.509	H4	C1	H5	106.346
H6	C2	H8	107.853	H6	C2	H9	107.853
H7	C3	H10	107.853	H7	C3	H11	107.853
H8	C2	H9	107.625	H10	C3	H11	107.625

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: CCD/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₃H₈ (Propane)