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	hartrees
Energy at 0K	-118.786736
Energy at 298.15K	-118.795152
HF Energy	-118.281182
Nuclear repulsion energy	82.701085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3198	3020	29.08	72.14	0.66	0.79
2	A₁	3109	2937	27.09	48.33	0.27	0.42
3	A₁	3102	2930	5.10	223.88	0.00	0.01
4	A₁	1544	1459	3.58	6.97	0.74	0.85
5	A₁	1522	1437	0.01	28.81	0.75	0.86
6	A₁	1441	1361	2.73	1.31	0.74	0.85
7	A₁	1196	1130	1.24	2.85	0.32	0.49
8	A₁	904	854	0.96	10.30	0.21	0.35
9	A₁	367	347	0.17	0.22	0.15	0.26
10	A₂	3190	3013	0.00	5.38	0.75	0.86
11	A₂	1522	1437	0.00	28.96	0.75	0.86
12	A₂	1335	1261	0.00	8.39	0.75	0.86
13	A₂	918	867	0.00	0.00	0.75	0.86
14	A₂	230	217	0.00	0.00	0.75	0.86
15	B₁	3198	3020	55.93	30.66	0.75	0.86
16	B₁	3154	2979	3.66	117.74	0.75	0.86
17	B₁	1541	1455	11.43	0.06	0.75	0.86
18	B₁	1231	1163	0.30	0.85	0.75	0.86
19	B₁	758	716	3.70	0.09	0.75	0.86
20	B₁	287	271	0.00	0.00	0.75	0.86
21	B₂	3196	3018	16.78	44.49	0.75	0.86
22	B₂	3101	2929	23.84	2.46	0.75	0.86
23	B₂	1530	1445	1.65	0.16	0.75	0.86
24	B₂	1426	1347	3.99	2.92	0.75	0.86
25	B₂	1380	1304	2.43	0.02	0.75	0.86
26	B₂	1095	1034	0.32	5.88	0.75	0.86
27	B₂	940	888	2.58	0.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.593
C2	0.000	1.265	-0.261
C3	0.000	-1.265	-0.261
H4	0.875	0.000	1.248
H5	-0.875	0.000	1.248
H6	0.000	2.167	0.353
H7	0.000	-2.167	0.353
H8	0.881	1.299	-0.906
H9	-0.881	1.299	-0.906
H10	-0.881	-1.299	-0.906
H11	0.881	-1.299	-0.906

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5261	1.5261	1.0933	1.0933	2.1798	2.1798	2.1696	2.1696	2.1696	2.1696
C2	1.5261		2.5297	2.1548	2.1548	1.0911	3.4860	1.0921	1.0921	2.7862	2.7862
C3	1.5261	2.5297		2.1548	2.1548	3.4860	1.0911	2.7862	2.7862	1.0921	1.0921
H4	1.0933	2.1548	2.1548		1.7506	2.5021	2.5021	2.5145	3.0672	3.0672	2.5145
H5	1.0933	2.1548	2.1548	1.7506		2.5021	2.5021	3.0672	2.5145	2.5145	3.0672
H6	2.1798	1.0911	3.4860	2.5021	2.5021		4.3331	1.7646	1.7646	3.7905	3.7905
H7	2.1798	3.4860	1.0911	2.5021	2.5021	4.3331		3.7905	3.7905	1.7646	1.7646
H8	2.1696	1.0921	2.7862	2.5145	3.0672	1.7646	3.7905		1.7623	3.1386	2.5972
H9	2.1696	1.0921	2.7862	3.0672	2.5145	1.7646	3.7905	1.7623		2.5972	3.1386
H10	2.1696	2.7862	1.0921	3.0672	2.5145	3.7905	1.7646	3.1386	2.5972		1.7623
H11	2.1696	2.7862	1.0921	2.5145	3.0672	3.7905	1.7646	2.5972	3.1386	1.7623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.712	C1	C2	H8	110.835
C1	C2	H9	110.835	C1	C3	H7	111.712
C1	C3	H10	110.835	C1	C3	H11	110.835
C2	C1	C3	111.956	C2	C1	H4	109.588
C2	C1	H5	109.588	C3	C1	H4	109.588
C3	C1	H5	109.588	H4	C1	H5	106.376
H6	C2	H8	107.856	H6	C2	H9	107.856
H7	C3	H10	107.856	H7	C3	H11	107.856
H8	C2	H9	107.581	H10	C3	H11	107.581

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₈ (Propane)