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	hartrees
Energy at 0K	-118.780734
Energy at 298.15K	-118.789196
HF Energy	-118.276108
Nuclear repulsion energy	82.786476

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3222	3222	47.89
2	A₁	3136	3136	24.77
3	A₁	3134	3134	20.05
4	A₁	1582	1582	2.52
5	A₁	1559	1559	0.03
6	A₁	1488	1488	1.67
7	A₁	1225	1225	0.72
8	A₁	914	914	0.60
9	A₁	378	378	0.04
10	A₂	3211	3211	0.00
11	A₂	1559	1559	0.00
12	A₂	1366	1366	0.00
13	A₂	941	941	0.00
14	A₂	233	233	0.00
15	B₁	3220	3220	93.26
16	B₁	3174	3174	6.48
17	B₁	1576	1576	9.50
18	B₁	1269	1269	0.04
19	B₁	771	771	2.07
20	B₁	289	289	0.00
21	B₂	3220	3220	26.97
22	B₂	3131	3131	30.93
23	B₂	1566	1566	1.29
24	B₂	1478	1478	3.59
25	B₂	1426	1426	2.71
26	B₂	1110	1110	0.17
27	B₂	963	963	1.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.587
C2	0.000	1.269	-0.260
C3	0.000	-1.269	-0.260
H4	0.873	0.000	1.240
H5	-0.873	0.000	1.240
H6	0.000	2.162	0.361
H7	0.000	-2.162	0.361
H8	0.879	1.306	-0.901
H9	-0.879	1.306	-0.901
H10	-0.879	-1.306	-0.901
H11	0.879	-1.306	-0.901

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5253	1.5253	1.0903	1.0903	2.1735	2.1735	2.1662	2.1662	2.1662	2.1662
C2	1.5253		2.5373	2.1499	2.1499	1.0877	3.4862	1.0888	1.0888	2.7951	2.7951
C3	1.5253	2.5373		2.1499	2.1499	3.4862	1.0877	2.7951	2.7951	1.0888	1.0888
H4	1.0903	2.1499	2.1499		1.7451	2.4916	2.4916	2.5084	3.0595	3.0595	2.5084
H5	1.0903	2.1499	2.1499	1.7451		2.4916	2.4916	3.0595	2.5084	2.5084	3.0595
H6	2.1735	1.0877	3.4862	2.4916	2.4916		4.3235	1.7603	1.7603	3.7935	3.7935
H7	2.1735	3.4862	1.0877	2.4916	2.4916	4.3235		3.7935	3.7935	1.7603	1.7603
H8	2.1662	1.0888	2.7951	2.5084	3.0595	1.7603	3.7935		1.7583	3.1485	2.6118
H9	2.1662	1.0888	2.7951	3.0595	2.5084	1.7603	3.7935	1.7583		2.6118	3.1485
H10	2.1662	2.7951	1.0888	3.0595	2.5084	3.7935	1.7603	3.1485	2.6118		1.7583
H11	2.1662	2.7951	1.0888	2.5084	3.0595	3.7935	1.7603	2.6118	3.1485	1.7583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.474	C1	C2	H8	110.817
C1	C2	H9	110.817	C1	C3	H7	111.474
C1	C3	H10	110.817	C1	C3	H11	110.817
C2	C1	C3	112.563	C2	C1	H4	109.441
C2	C1	H5	109.441	C3	C1	H4	109.441
C3	C1	H5	109.441	H4	C1	H5	106.322
H6	C2	H8	107.947	H6	C2	H9	107.947
H7	C3	H10	107.947	H7	C3	H11	107.947
H8	C2	H9	107.690	H10	C3	H11	107.690

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP3=FULL/6-31G**

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/6-31G**

States and conformations

All results from a given calculation for C₃H₈ (Propane)