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	hartrees
Energy at 0K	-118.530483
Energy at 298.15K	-118.538918
HF Energy	-118.214530
Nuclear repulsion energy	81.729465

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3120	3120	57.89
2	A₁	3042	3042	6.09
3	A₁	3038	3038	42.13
4	A₁	1578	1578	4.71
5	A₁	1561	1561	0.05
6	A₁	1493	1493	3.13
7	A₁	1226	1226	1.29
8	A₁	888	888	0.75
9	A₁	380	380	0.10
10	A₂	3108	3108	0.00
11	A₂	1558	1558	0.00
12	A₂	1358	1358	0.00
13	A₂	951	951	0.00
14	A₂	226	226	0.00
15	B₁	3118	3118	110.37
16	B₁	3067	3067	7.52
17	B₁	1571	1571	12.14
18	B₁	1281	1281	0.12
19	B₁	776	776	3.23
20	B₁	275	275	0.00
21	B₂	3116	3116	32.01
22	B₂	3040	3040	34.12
23	B₂	1562	1562	2.72
24	B₂	1474	1474	4.31
25	B₂	1432	1432	2.62
26	B₂	1090	1090	0.75
27	B₂	967	967	2.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.594
C2	0.000	1.287	-0.264
C3	0.000	-1.287	-0.264
H4	0.883	0.000	1.254
H5	-0.883	0.000	1.254
H6	0.000	2.188	0.369
H7	0.000	-2.188	0.369
H8	0.890	1.324	-0.911
H9	-0.890	1.324	-0.911
H10	-0.890	-1.324	-0.911
H11	0.890	-1.324	-0.911

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5467	1.5467	1.1028	1.1028	2.1994	2.1994	2.1929	2.1929	2.1929	2.1929
C2	1.5467		2.5749	2.1772	2.1772	1.1002	3.5323	1.1013	1.1013	2.8339	2.8339
C3	1.5467	2.5749		2.1772	2.1772	3.5323	1.1002	2.8339	2.8339	1.1013	1.1013
H4	1.1028	2.1772	2.1772		1.7666	2.5200	2.5200	2.5374	3.0958	3.0958	2.5374
H5	1.1028	2.1772	2.1772	1.7666		2.5200	2.5200	3.0958	2.5374	2.5374	3.0958
H6	2.1994	1.1002	3.5323	2.5200	2.5200		4.3757	1.7820	1.7820	3.8422	3.8422
H7	2.1994	3.5323	1.1002	2.5200	2.5200	4.3757		3.8422	3.8422	1.7820	1.7820
H8	2.1929	1.1013	2.8339	2.5374	3.0958	1.7820	3.8422		1.7805	3.1910	2.6480
H9	2.1929	1.1013	2.8339	3.0958	2.5374	1.7820	3.8422	1.7805		2.6480	3.1910
H10	2.1929	2.8339	1.1013	3.0958	2.5374	3.8422	1.7820	3.1910	2.6480		1.7805
H11	2.1929	2.8339	1.1013	2.5374	3.0958	3.8422	1.7820	2.6480	3.1910	1.7805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.273	C1	C2	H8	110.691
C1	C2	H9	110.691	C1	C3	H7	111.273
C1	C3	H10	110.691	C1	C3	H11	110.691
C2	C1	C3	112.691	C2	C1	H4	109.376
C2	C1	H5	109.376	C3	C1	H4	109.376
C3	C1	H5	109.376	H4	C1	H5	106.451
H6	C2	H8	108.091	H6	C2	H9	108.091
H7	C3	H10	108.091	H7	C3	H11	108.091
H8	C2	H9	107.879	H10	C3	H11	107.879

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G

States and conformations

All results from a given calculation for C₃H₈ (Propane)