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	hartrees
Energy at 0K	-118.866280
Energy at 298.15K	-118.874702
HF Energy	-118.304519
Nuclear repulsion energy	82.736627

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3164	2955	51.21
2	A₁	3091	2886	27.57
3	A₁	3082	2878	20.08
4	A₁	1542	1440	4.41
5	A₁	1519	1418	0.04
6	A₁	1462	1365	2.60
7	A₁	1210	1130	0.64
8	A₁	901	841	0.49
9	A₁	372	347	0.00
10	A₂	3151	2942	0.00
11	A₂	1517	1416	0.00
12	A₂	1342	1253	0.00
13	A₂	931	869	0.00
14	A₂	215	201	0.00
15	B₁	3163	2953	101.23
16	B₁	3122	2915	1.69
17	B₁	1534	1433	12.05
18	B₁	1247	1165	0.01
19	B₁	767	716	1.32
20	B₁	286	267	0.00
21	B₂	3162	2952	30.11
22	B₂	3080	2875	32.06
23	B₂	1524	1423	1.48
24	B₂	1449	1353	4.87
25	B₂	1405	1312	1.78
26	B₂	1092	1019	0.45
27	B₂	952	889	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.588
C2	0.000	1.268	-0.260
C3	0.000	-1.268	-0.260
H4	0.875	0.000	1.240
H5	-0.875	0.000	1.240
H6	0.000	2.164	0.360
H7	0.000	-2.164	0.360
H8	0.881	1.304	-0.902
H9	-0.881	1.304	-0.902
H10	-0.881	-1.304	-0.902
H11	0.881	-1.304	-0.902

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5256	1.5256	1.0914	1.0914	2.1760	2.1760	2.1675	2.1675	2.1675	2.1675
C2	1.5256		2.5359	2.1506	2.1506	1.0895	3.4874	1.0908	1.0908	2.7934	2.7934
C3	1.5256	2.5359		2.1506	2.1506	3.4874	1.0895	2.7934	2.7934	1.0908	1.0908
H4	1.0914	2.1506	2.1506		1.7504	2.4949	2.4949	2.5083	3.0620	3.0620	2.5083
H5	1.0914	2.1506	2.1506	1.7504		2.4949	2.4949	3.0620	2.5083	2.5083	3.0620
H6	2.1760	1.0895	3.4874	2.4949	2.4949		4.3280	1.7630	1.7630	3.7941	3.7941
H7	2.1760	3.4874	1.0895	2.4949	2.4949	4.3280		3.7941	3.7941	1.7630	1.7630
H8	2.1675	1.0908	2.7934	2.5083	3.0620	1.7630	3.7941		1.7619	3.1473	2.6079
H9	2.1675	1.0908	2.7934	3.0620	2.5083	1.7630	3.7941	1.7619		2.6079	3.1473
H10	2.1675	2.7934	1.0908	3.0620	2.5083	3.7941	1.7630	3.1473	2.6079		1.7619
H11	2.1675	2.7934	1.0908	2.5083	3.0620	3.7941	1.7630	2.6079	3.1473	1.7619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.541	C1	C2	H8	110.785
C1	C2	H9	110.785	C1	C3	H7	111.541
C1	C3	H10	110.785	C1	C3	H11	110.785
C2	C1	C3	112.425	C2	C1	H4	109.408
C2	C1	H5	109.408	C3	C1	H4	109.408
C3	C1	H5	109.408	H4	C1	H5	106.616
H6	C2	H8	107.924	H6	C2	H9	107.924
H7	C3	H10	107.924	H7	C3	H11	107.924
H8	C2	H9	107.731	H10	C3	H11	107.731

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP3=FULL/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₃H₈ (Propane)