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	hartrees
Energy at 0K	-118.807851
Energy at 298.15K	-118.816319
HF Energy	-118.304916
Nuclear repulsion energy	83.016861

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3200	2957	48.19
2	A₁	3124	2887	12.04
3	A₁	3122	2885	32.27
4	A₁	1575	1456	5.46
5	A₁	1554	1436	0.03
6	A₁	1483	1370	2.81
7	A₁	1226	1133	0.98
8	A₁	915	845	0.67
9	A₁	378	349	0.05
10	A₂	3188	2945	0.00
11	A₂	1553	1435	0.00
12	A₂	1368	1264	0.00
13	A₂	941	870	0.00
14	A₂	227	210	0.00
15	B₁	3199	2956	90.96
16	B₁	3154	2914	3.13
17	B₁	1570	1451	13.14
18	B₁	1264	1168	0.07
19	B₁	774	715	2.32
20	B₁	285	263	0.00
21	B₂	3197	2954	28.44
22	B₂	3118	2881	32.54
23	B₂	1560	1441	1.79
24	B₂	1472	1360	4.93
25	B₂	1427	1318	1.41
26	B₂	1109	1025	0.49
27	B₂	966	892	1.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.586
C2	0.000	1.264	-0.259
C3	0.000	-1.264	-0.259
H4	0.870	0.000	1.238
H5	-0.870	0.000	1.238
H6	0.000	2.156	0.357
H7	0.000	-2.156	0.357
H8	0.876	1.303	-0.899
H9	-0.876	1.303	-0.899
H10	-0.876	-1.303	-0.899
H11	0.876	-1.303	-0.899

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5211	1.5211	1.0869	1.0869	2.1686	2.1686	2.1616	2.1616	2.1616	2.1616
C2	1.5211		2.5284	2.1442	2.1442	1.0847	3.4759	1.0859	1.0859	2.7867	2.7867
C3	1.5211	2.5284		2.1442	2.1442	3.4759	1.0847	2.7867	2.7867	1.0859	1.0859
H4	1.0869	2.1442	2.1442		1.7397	2.4865	2.4865	2.5032	3.0521	3.0521	2.5032
H5	1.0869	2.1442	2.1442	1.7397		2.4865	2.4865	3.0521	2.5032	2.5032	3.0521
H6	2.1686	1.0847	3.4759	2.4865	2.4865		4.3130	1.7541	1.7541	3.7832	3.7832
H7	2.1686	3.4759	1.0847	2.4865	2.4865	4.3130		3.7832	3.7832	1.7541	1.7541
H8	2.1616	1.0859	2.7867	2.5032	3.0521	1.7541	3.7832		1.7528	3.1398	2.6050
H9	2.1616	1.0859	2.7867	3.0521	2.5032	1.7541	3.7832	1.7528		2.6050	3.1398
H10	2.1616	2.7867	1.0859	3.0521	2.5032	3.7832	1.7541	3.1398	2.6050		1.7528
H11	2.1616	2.7867	1.0859	2.5032	3.0521	3.7832	1.7541	2.6050	3.1398	1.7528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.558	C1	C2	H8	110.920
C1	C2	H9	110.920	C1	C3	H7	111.558
C1	C3	H10	110.920	C1	C3	H11	110.920
C2	C1	C3	112.429	C2	C1	H4	109.477
C2	C1	H5	109.477	C3	C1	H4	109.477
C3	C1	H5	109.477	H4	C1	H5	106.317
H6	C2	H8	107.829	H6	C2	H9	107.829
H7	C3	H10	107.829	H7	C3	H11	107.829
H8	C2	H9	107.621	H10	C3	H11	107.621

All results from a given calculation for C₃H₈ (Propane)

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

States and conformations

All results from a given calculation for C₃H₈ (Propane)