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	hartrees
Energy at 0K	-118.766408
Energy at 298.15K	-118.774816
HF Energy	-118.271629
Nuclear repulsion energy	81.971536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3149	3013	45.49
2	A₁	3065	2933	10.36
3	A₁	3059	2927	37.84
4	A₁	1513	1448	2.96
5	A₁	1492	1427	0.12
6	A₁	1429	1367	1.30
7	A₁	1188	1136	0.71
8	A₁	901	862	0.66
9	A₁	368	352	0.04
10	A₂	3138	3002	0.00
11	A₂	1490	1426	0.00
12	A₂	1322	1264	0.00
13	A₂	910	871	0.00
14	A₂	229	219	0.00
15	B₁	3147	3010	89.54
16	B₁	3102	2968	6.20
17	B₁	1507	1442	10.37
18	B₁	1222	1169	0.09
19	B₁	754	722	1.97
20	B₁	286	274	0.00
21	B₂	3147	3010	26.10
22	B₂	3058	2925	34.01
23	B₂	1499	1434	1.06
24	B₂	1424	1362	3.91
25	B₂	1375	1315	3.26
26	B₂	1095	1048	0.21
27	B₂	934	894	0.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.591
C2	0.000	1.276	-0.261
C3	0.000	-1.276	-0.261
H4	0.886	0.000	1.255
H5	-0.886	0.000	1.255
H6	0.000	2.184	0.368
H7	0.000	-2.184	0.368
H8	0.893	1.315	-0.913
H9	-0.893	1.315	-0.913
H10	-0.893	-1.315	-0.913
H11	0.893	-1.315	-0.913

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5343	1.5343	1.1072	1.1072	2.1951	2.1951	2.1881	2.1881	2.1881	2.1881
C2	1.5343		2.5517	2.1707	2.1707	1.1047	3.5164	1.1060	1.1060	2.8167	2.8167
C3	1.5343	2.5517		2.1707	2.1707	3.5164	1.1047	2.8167	2.8167	1.1060	1.1060
H4	1.1072	2.1707	2.1707		1.7716	2.5180	2.5180	2.5358	3.0973	3.0973	2.5358
H5	1.1072	2.1707	2.1707	1.7716		2.5180	2.5180	3.0973	2.5358	2.5358	3.0973
H6	2.1951	1.1047	3.5164	2.5180	2.5180		4.3675	1.7870	1.7870	3.8313	3.8313
H7	2.1951	3.5164	1.1047	2.5180	2.5180	4.3675		3.8313	3.8313	1.7870	1.7870
H8	2.1881	1.1060	2.8167	2.5358	3.0973	1.7870	3.8313		1.7854	3.1785	2.6298
H9	2.1881	1.1060	2.8167	3.0973	2.5358	1.7870	3.8313	1.7854		2.6298	3.1785
H10	2.1881	2.8167	1.1060	3.0973	2.5358	3.8313	1.7870	3.1785	2.6298		1.7854
H11	2.1881	2.8167	1.1060	2.5358	3.0973	3.8313	1.7870	2.6298	3.1785	1.7854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.531	C1	C2	H8	110.898
C1	C2	H9	110.898	C1	C3	H7	111.531
C1	C3	H10	110.898	C1	C3	H11	110.898
C2	C1	C3	112.518	C2	C1	H4	109.464
C2	C1	H5	109.464	C3	C1	H4	109.464
C3	C1	H5	109.464	H4	C1	H5	106.273
H6	C2	H8	107.863	H6	C2	H9	107.863
H7	C3	H10	107.863	H7	C3	H11	107.863
H8	C2	H9	107.626	H10	C3	H11	107.626

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₈ (Propane)