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	hartrees
Energy at 0K	-118.802141
Energy at 298.15K	-118.810489
HF Energy	-118.275068
Nuclear repulsion energy	81.826548

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3135	3062
2	A₁	3051	2981
3	A₁	3050	2979
4	A₁	1560	1524
5	A₁	1539	1503
6	A₁	1466	1432
7	A₁	1208	1180
8	A₁	900	880
9	A₁	375	366
10	A₂	3124	3052
11	A₂	1537	1501
12	A₂	1344	1313
13	A₂	929	908
14	A₂	232	226
15	B₁	3133	3060
16	B₁	3085	3014
17	B₁	1554	1518
18	B₁	1253	1224
19	B₁	763	745
20	B₁	285	278
21	B₂	3133	3060
22	B₂	3049	2978
23	B₂	1544	1508
24	B₂	1454	1421
25	B₂	1403	1370
26	B₂	1095	1070
27	B₂	949	927

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.595
C2	0.000	1.278	-0.263
C3	0.000	-1.278	-0.263
H4	0.887	0.000	1.258
H5	-0.887	0.000	1.258
H6	0.000	2.188	0.364
H7	0.000	-2.188	0.364
H8	0.894	1.314	-0.914
H9	-0.894	1.314	-0.914
H10	-0.894	-1.314	-0.914
H11	0.894	-1.314	-0.914

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5394	1.5394	1.1074	1.1074	2.1998	2.1998	2.1921	2.1921	2.1921	2.1921
C2	1.5394		2.5558	2.1756	2.1756	1.1052	3.5219	1.1065	1.1065	2.8182	2.8182
C3	1.5394	2.5558		2.1756	2.1756	3.5219	1.1052	2.8182	2.8182	1.1065	1.1065
H4	1.1074	2.1756	2.1756		1.7746	2.5241	2.5241	2.5389	3.1013	3.1013	2.5389
H5	1.1074	2.1756	2.1756	1.7746		2.5241	2.5241	3.1013	2.5389	2.5389	3.1013
H6	2.1998	1.1052	3.5219	2.5241	2.5241		4.3752	1.7881	1.7881	3.8338	3.8338
H7	2.1998	3.5219	1.1052	2.5241	2.5241	4.3752		3.8338	3.8338	1.7881	1.7881
H8	2.1921	1.1065	2.8182	2.5389	3.1013	1.7881	3.8338		1.7875	3.1787	2.6285
H9	2.1921	1.1065	2.8182	3.1013	2.5389	1.7881	3.8338	1.7875		2.6285	3.1787
H10	2.1921	2.8182	1.1065	3.1013	2.5389	3.8338	1.7881	3.1787	2.6285		1.7875
H11	2.1921	2.8182	1.1065	2.5389	3.1013	3.8338	1.7881	2.6285	3.1787	1.7875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.511	C1	C2	H8	110.825
C1	C2	H9	110.825	C1	C3	H7	111.511
C1	C3	H10	110.825	C1	C3	H11	110.825
C2	C1	C3	112.223	C2	C1	H4	109.487
C2	C1	H5	109.487	C3	C1	H4	109.487
C3	C1	H5	109.487	H4	C1	H5	106.506
H6	C2	H8	107.892	H6	C2	H9	107.892
H7	C3	H10	107.892	H7	C3	H11	107.892
H8	C2	H9	107.746	H10	C3	H11	107.746

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP4/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₈ (Propane)