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	hartrees
Energy at 0K	-118.769621
Energy at 298.15K	-118.778037
HF Energy	-118.271926
Nuclear repulsion energy	82.090946

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3173	2983	43.85
2	A₁	3088	2904	14.09
3	A₁	3082	2898	33.84
4	A₁	1517	1427	3.25
5	A₁	1495	1406	0.11
6	A₁	1430	1345	1.49
7	A₁	1190	1119	0.78
8	A₁	904	850	0.71
9	A₁	368	346	0.04
10	A₂	3161	2972	0.00
11	A₂	1494	1405	0.00
12	A₂	1325	1246	0.00
13	A₂	912	858	0.00
14	A₂	230	217	0.00
15	B₁	3169	2980	87.85
16	B₁	3125	2939	5.56
17	B₁	1511	1421	11.09
18	B₁	1224	1151	0.12
19	B₁	756	711	2.18
20	B₁	287	270	0.00
21	B₂	3170	2981	25.47
22	B₂	3080	2897	32.90
23	B₂	1503	1413	1.18
24	B₂	1426	1341	4.41
25	B₂	1376	1294	3.09
26	B₂	1099	1033	0.24
27	B₂	936	880	1.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.591
C2	0.000	1.274	-0.261
C3	0.000	-1.274	-0.261
H4	0.884	0.000	1.253
H5	-0.884	0.000	1.253
H6	0.000	2.181	0.366
H7	0.000	-2.181	0.366
H8	0.891	1.313	-0.912
H9	-0.891	1.313	-0.912
H10	-0.891	-1.313	-0.912
H11	0.891	-1.313	-0.912

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5329	1.5329	1.1047	1.1047	2.1923	2.1923	2.1850	2.1850	2.1850	2.1850
C2	1.5329		2.5490	2.1677	2.1677	1.1023	3.5118	1.1037	1.1037	2.8126	2.8126
C3	1.5329	2.5490		2.1677	2.1677	3.5118	1.1023	2.8126	2.8126	1.1037	1.1037
H4	1.1047	2.1677	2.1677		1.7679	2.5147	2.5147	2.5319	3.0919	3.0919	2.5319
H5	1.1047	2.1677	2.1677	1.7679		2.5147	2.5147	3.0919	2.5319	2.5319	3.0919
H6	2.1923	1.1023	3.5118	2.5147	2.5147		4.3616	1.7833	1.7833	3.8252	3.8252
H7	2.1923	3.5118	1.1023	2.5147	2.5147	4.3616		3.8252	3.8252	1.7833	1.7833
H8	2.1850	1.1037	2.8126	2.5319	3.0919	1.7833	3.8252		1.7813	3.1729	2.6256
H9	2.1850	1.1037	2.8126	3.0919	2.5319	1.7833	3.8252	1.7813		2.6256	3.1729
H10	2.1850	2.8126	1.1037	3.0919	2.5319	3.8252	1.7833	3.1729	2.6256		1.7813
H11	2.1850	2.8126	1.1037	2.5319	3.0919	3.8252	1.7833	2.6256	3.1729	1.7813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.552	C1	C2	H8	110.883
C1	C2	H9	110.883	C1	C3	H7	111.552
C1	C3	H10	110.883	C1	C3	H11	110.883
C2	C1	C3	112.489	C2	C1	H4	109.466
C2	C1	H5	109.466	C3	C1	H4	109.466
C3	C1	H5	109.466	H4	C1	H5	106.297
H6	C2	H8	107.879	H6	C2	H9	107.879
H7	C3	H10	107.879	H7	C3	H11	107.879
H8	C2	H9	107.604	H10	C3	H11	107.604

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP3=FULL/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: MP3=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₈ (Propane)