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	hartrees
Energy at 0K	-118.714195
Energy at 298.15K	-118.722612
HF Energy	-118.262789
Nuclear repulsion energy	82.301241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3135	2993
2	A₁	3051	2913
3	A₁	3050	2912
4	A₁	1560	1489
5	A₁	1539	1469
6	A₁	1466	1399
7	A₁	1208	1153
8	A₁	900	860
9	A₁	375	358
10	A₂	3124	2983
11	A₂	1537	1467
12	A₂	1344	1284
13	A₂	929	887
14	A₂	232	221
15	B₁	3133	2991
16	B₁	3085	2946
17	B₁	1554	1484
18	B₁	1253	1196
19	B₁	763	728
20	B₁	285	272
21	B₂	3133	2991
22	B₂	3049	2911
23	B₂	1544	1474
24	B₂	1454	1388
25	B₂	1403	1339
26	B₂	1095	1046
27	B₂	949	906

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.590
C2	0.000	1.273	-0.261
C3	0.000	-1.273	-0.261
H4	0.880	0.000	1.250
H5	-0.880	0.000	1.250
H6	0.000	2.175	0.365
H7	0.000	-2.175	0.365
H8	0.887	1.310	-0.908
H9	-0.887	1.310	-0.908
H10	-0.887	-1.310	-0.908
H11	0.887	-1.310	-0.908

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5308	1.5308	1.1004	1.1004	2.1866	2.1866	2.1788	2.1788	2.1788	2.1788
C2	1.5308		2.5454	2.1627	2.1627	1.0980	3.5040	1.0989	1.0989	2.8065	2.8065
C3	1.5308	2.5454		2.1627	2.1627	3.5040	1.0980	2.8065	2.8065	1.0989	1.0989
H4	1.1004	2.1627	2.1627		1.7608	2.5079	2.5079	2.5246	3.0819	3.0819	2.5246
H5	1.1004	2.1627	2.1627	1.7608		2.5079	2.5079	3.0819	2.5246	2.5246	3.0819
H6	2.1866	1.0980	3.5040	2.5079	2.5079		4.3500	1.7764	1.7764	3.8148	3.8148
H7	2.1866	3.5040	1.0980	2.5079	2.5079	4.3500		3.8148	3.8148	1.7764	1.7764
H8	2.1788	1.0989	2.8065	2.5246	3.0819	1.7764	3.8148		1.7745	3.1644	2.6201
H9	2.1788	1.0989	2.8065	3.0819	2.5246	1.7764	3.8148	1.7745		2.6201	3.1644
H10	2.1788	2.8065	1.0989	3.0819	2.5246	3.8148	1.7764	3.1644	2.6201		1.7745
H11	2.1788	2.8065	1.0989	2.5246	3.0819	3.8148	1.7764	2.6201	3.1644	1.7745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.510	C1	C2	H8	110.827
C1	C2	H9	110.827	C1	C3	H7	111.510
C1	C3	H10	110.827	C1	C3	H11	110.827
C2	C1	C3	112.488	C2	C1	H4	109.473
C2	C1	H5	109.473	C3	C1	H4	109.473
C3	C1	H5	109.473	H4	C1	H5	106.267
H6	C2	H8	107.920	H6	C2	H9	107.920
H7	C3	H10	107.920	H7	C3	H11	107.920
H8	C2	H9	107.684	H10	C3	H11	107.684

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

All results from a given calculation for C₃H₈ (Propane)