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	hartrees
Energy at 0K	-118.951916
Energy at 298.15K	-118.960299
HF Energy	-118.310973
Nuclear repulsion energy	82.904728

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3154	3154	41.19
2	A₁	3082	3082	27.07
3	A₁	3073	3073	15.24
4	A₁	1533	1533	4.98
5	A₁	1512	1512	0.00
6	A₁	1441	1441	3.38
7	A₁	1195	1195	0.85
8	A₁	900	900	0.71
9	A₁	367	367	0.03
10	A₂	3140	3140	0.00
11	A₂	1512	1512	0.00
12	A₂	1340	1340	0.00
13	A₂	919	919	0.00
14	A₂	216	216	0.00
15	B₁	3150	3150	82.32
16	B₁	3110	3110	1.32
17	B₁	1529	1529	13.37
18	B₁	1234	1234	0.10
19	B₁	758	758	2.40
20	B₁	276	276	0.00
21	B₂	3151	3151	26.13
22	B₂	3071	3071	28.57
23	B₂	1519	1519	1.75
24	B₂	1431	1431	5.43
25	B₂	1386	1386	1.21
26	B₂	1092	1092	0.49
27	B₂	942	942	1.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.590
C2	0.000	1.265	-0.260
C3	0.000	-1.265	-0.260
H4	0.872	0.000	1.241
H5	-0.872	0.000	1.241
H6	0.000	2.160	0.355
H7	0.000	-2.160	0.355
H8	0.878	1.298	-0.902
H9	-0.878	1.298	-0.902
H10	-0.878	-1.298	-0.902
H11	0.878	-1.298	-0.902

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5238	1.5238	1.0884	1.0884	2.1724	2.1724	2.1636	2.1636	2.1636	2.1636
C2	1.5238		2.5293	2.1480	2.1480	1.0864	3.4793	1.0879	1.0879	2.7843	2.7843
C3	1.5238	2.5293		2.1480	2.1480	3.4793	1.0864	2.7843	2.7843	1.0879	1.0879
H4	1.0884	2.1480	2.1480		1.7439	2.4918	2.4918	2.5054	3.0561	3.0561	2.5054
H5	1.0884	2.1480	2.1480	1.7439		2.4918	2.4918	3.0561	2.5054	2.5054	3.0561
H6	2.1724	1.0864	3.4793	2.4918	2.4918		4.3194	1.7587	1.7587	3.7829	3.7829
H7	2.1724	3.4793	1.0864	2.4918	2.4918	4.3194		3.7829	3.7829	1.7587	1.7587
H8	2.1636	1.0879	2.7843	2.5054	3.0561	1.7587	3.7829		1.7563	3.1351	2.5970
H9	2.1636	1.0879	2.7843	3.0561	2.5054	1.7587	3.7829	1.7563		2.5970	3.1351
H10	2.1636	2.7843	1.0879	3.0561	2.5054	3.7829	1.7587	3.1351	2.5970		1.7563
H11	2.1636	2.7843	1.0879	2.5054	3.0561	3.7829	1.7587	2.5970	3.1351	1.7563

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.561	C1	C2	H8	110.772
C1	C2	H9	110.772	C1	C3	H7	111.561
C1	C3	H10	110.772	C1	C3	H11	110.772
C2	C1	C3	112.181	C2	C1	H4	109.503
C2	C1	H5	109.503	C3	C1	H4	109.503
C3	C1	H5	109.503	H4	C1	H5	106.483
H6	C2	H8	107.968	H6	C2	H9	107.968
H7	C3	H10	107.968	H7	C3	H11	107.968
H8	C2	H9	107.650	H10	C3	H11	107.650

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP3=FULL/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for C₃H₈ (Propane)