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	hartrees
Energy at 0K	-118.812683
Energy at 298.15K	-118.821102
HF Energy	-118.304480
Nuclear repulsion energy	82.690130

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3164	2959	51.97
2	A₁	3091	2891	27.46
3	A₁	3083	2884	20.54
4	A₁	1541	1441	4.25
5	A₁	1518	1420	0.05
6	A₁	1461	1366	2.49
7	A₁	1209	1130	0.61
8	A₁	900	842	0.48
9	A₁	372	348	0.00
10	A₂	3151	2947	0.00
11	A₂	1516	1418	0.00
12	A₂	1341	1254	0.00
13	A₂	930	870	0.00
14	A₂	215	201	0.00
15	B₁	3163	2958	102.55
16	B₁	3122	2919	1.72
17	B₁	1534	1434	11.85
18	B₁	1247	1166	0.01
19	B₁	766	717	1.27
20	B₁	285	267	0.00
21	B₂	3162	2957	30.58
22	B₂	3081	2881	32.33
23	B₂	1523	1424	1.44
24	B₂	1448	1354	4.75
25	B₂	1404	1313	1.89
26	B₂	1090	1020	0.44
27	B₂	950	889	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.589
C2	0.000	1.269	-0.260
C3	0.000	-1.269	-0.260
H4	0.876	0.000	1.241
H5	-0.876	0.000	1.241
H6	0.000	2.165	0.360
H7	0.000	-2.165	0.360
H8	0.882	1.304	-0.903
H9	-0.882	1.304	-0.903
H10	-0.882	-1.304	-0.903
H11	0.882	-1.304	-0.903

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5264	1.5264	1.0921	1.0921	2.1771	2.1771	2.1687	2.1687	2.1687	2.1687
C2	1.5264		2.5371	2.1518	2.1518	1.0902	3.4892	1.0915	1.0915	2.7947	2.7947
C3	1.5264	2.5371		2.1518	2.1518	3.4892	1.0902	2.7947	2.7947	1.0915	1.0915
H4	1.0921	2.1518	2.1518		1.7516	2.4962	2.4962	2.5096	3.0637	3.0637	2.5096
H5	1.0921	2.1518	2.1518	1.7516		2.4962	2.4962	3.0637	2.5096	2.5096	3.0637
H6	2.1771	1.0902	3.4892	2.4962	2.4962		4.3302	1.7643	1.7643	3.7960	3.7960
H7	2.1771	3.4892	1.0902	2.4962	2.4962	4.3302		3.7960	3.7960	1.7643	1.7643
H8	2.1687	1.0915	2.7947	2.5096	3.0637	1.7643	3.7960		1.7631	3.1488	2.6089
H9	2.1687	1.0915	2.7947	3.0637	2.5096	1.7643	3.7960	1.7631		2.6089	3.1488
H10	2.1687	2.7947	1.0915	3.0637	2.5096	3.7960	1.7643	3.1488	2.6089		1.7631
H11	2.1687	2.7947	1.0915	2.5096	3.0637	3.7960	1.7643	2.6089	3.1488	1.7631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.531	C1	C2	H8	110.780
C1	C2	H9	110.780	C1	C3	H7	111.531
C1	C3	H10	110.780	C1	C3	H11	110.780
C2	C1	C3	112.417	C2	C1	H4	109.406
C2	C1	H5	109.406	C3	C1	H4	109.406
C3	C1	H5	109.406	H4	C1	H5	106.630
H6	C2	H8	107.931	H6	C2	H9	107.931
H7	C3	H10	107.931	H7	C3	H11	107.931
H8	C2	H9	107.739	H10	C3	H11	107.739

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP3/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/TZVP

States and conformations

All results from a given calculation for C₃H₈ (Propane)