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	hartrees
Energy at 0K	-117.927344
Energy at 298.15K	-117.935806
HF Energy	-117.612350
Nuclear repulsion energy	81.835395

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3134	3134	44.39
2	A₁	3072	3072	18.38
3	A₁	3065	3065	12.66
4	A₁	1603	1603	4.83
5	A₁	1586	1586	0.30
6	A₁	1499	1499	4.17
7	A₁	1226	1226	1.85
8	A₁	862	862	0.82
9	A₁	382	382	0.19
10	A₂	3125	3125	0.00
11	A₂	1586	1586	0.00
12	A₂	1380	1380	0.00
13	A₂	969	969	0.00
14	A₂	235	235	0.00
15	B₁	3138	3138	83.06
16	B₁	3097	3097	0.74
17	B₁	1601	1601	12.62
18	B₁	1281	1281	0.42
19	B₁	780	780	4.39
20	B₁	280	280	0.00
21	B₂	3130	3130	24.38
22	B₂	3063	3063	25.05
23	B₂	1592	1592	2.54
24	B₂	1481	1481	4.40
25	B₂	1427	1427	1.87
26	B₂	1052	1052	1.81
27	B₂	972	972	2.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.604
C2	0.000	1.283	-0.267
C3	0.000	-1.283	-0.267
H4	0.884	0.000	1.255
H5	-0.884	0.000	1.255
H6	0.000	2.185	0.357
H7	0.000	-2.185	0.357
H8	0.889	1.305	-0.910
H9	-0.889	1.305	-0.910
H10	-0.889	-1.305	-0.910
H11	0.889	-1.305	-0.910

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5514	1.5514	1.0977	1.0977	2.1990	2.1990	2.1878	2.1878	2.1878	2.1878
C2	1.5514		2.5669	2.1785	2.1785	1.0965	3.5241	1.0971	1.0971	2.8115	2.8115
C3	1.5514	2.5669		2.1785	2.1785	3.5241	1.0965	2.8115	2.8115	1.0971	1.0971
H4	1.0977	2.1785	2.1785		1.7685	2.5224	2.5224	2.5277	3.0877	3.0877	2.5277
H5	1.0977	2.1785	2.1785	1.7685		2.5224	2.5224	3.0877	2.5277	2.5277	3.0877
H6	2.1990	1.0965	3.5241	2.5224	2.5224		4.3700	1.7801	1.7801	3.8179	3.8179
H7	2.1990	3.5241	1.0965	2.5224	2.5224	4.3700		3.8179	3.8179	1.7801	1.7801
H8	2.1878	1.0971	2.8115	2.5277	3.0877	1.7801	3.8179		1.7780	3.1584	2.6104
H9	2.1878	1.0971	2.8115	3.0877	2.5277	1.7801	3.8179	1.7780		2.6104	3.1584
H10	2.1878	2.8115	1.0971	3.0877	2.5277	3.8179	1.7801	3.1584	2.6104		1.7780
H11	2.1878	2.8115	1.0971	2.5277	3.0877	3.8179	1.7801	2.6104	3.1584	1.7780

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.123	C1	C2	H8	110.211
C1	C2	H9	110.211	C1	C3	H7	111.123
C1	C3	H10	110.211	C1	C3	H11	110.211
C2	C1	C3	111.635	C2	C1	H4	109.447
C2	C1	H5	109.447	C3	C1	H4	109.447
C3	C1	H5	109.447	H4	C1	H5	107.318
H6	C2	H8	108.483	H6	C2	H9	108.483
H7	C3	H10	108.483	H7	C3	H11	108.483
H8	C2	H9	108.253	H10	C3	H11	108.253

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP3=FULL/3-21G

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/3-21G

States and conformations

All results from a given calculation for C₃H₈ (Propane)