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	hartrees
Energy at 0K	-118.866001
Energy at 298.15K	-118.874423
HF Energy	-118.295528
Nuclear repulsion energy	82.472408

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3161	3161	49.95
2	A₁	3087	3087	26.52
3	A₁	3079	3079	20.17
4	A₁	1539	1539	4.16
5	A₁	1517	1517	0.09
6	A₁	1451	1451	2.93
7	A₁	1204	1204	0.75
8	A₁	904	904	0.66
9	A₁	371	371	0.02
10	A₂	3148	3148	0.00
11	A₂	1515	1515	0.00
12	A₂	1342	1342	0.00
13	A₂	926	926	0.00
14	A₂	221	221	0.00
15	B₁	3159	3159	99.15
16	B₁	3118	3118	2.14
17	B₁	1532	1532	12.37
18	B₁	1242	1242	0.06
19	B₁	764	764	1.84
20	B₁	285	285	0.00
21	B₂	3158	3158	28.47
22	B₂	3076	3076	31.74
23	B₂	1524	1524	1.48
24	B₂	1443	1443	5.64
25	B₂	1395	1395	1.24
26	B₂	1098	1098	0.36
27	B₂	947	947	1.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.590
C2	0.000	1.272	-0.261
C3	0.000	-1.272	-0.261
H4	0.878	0.000	1.245
H5	-0.878	0.000	1.245
H6	0.000	2.170	0.362
H7	0.000	-2.170	0.362
H8	0.884	1.307	-0.906
H9	-0.884	1.307	-0.906
H10	-0.884	-1.307	-0.906
H11	0.884	-1.307	-0.906

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5300	1.5300	1.0955	1.0955	2.1824	2.1824	2.1739	2.1739	2.1739	2.1739
C2	1.5300		2.5432	2.1577	2.1577	1.0937	3.4980	1.0949	1.0949	2.8009	2.8009
C3	1.5300	2.5432		2.1577	2.1577	3.4980	1.0937	2.8009	2.8009	1.0949	1.0949
H4	1.0955	2.1577	2.1577		1.7562	2.5023	2.5023	2.5165	3.0722	3.0722	2.5165
H5	1.0955	2.1577	2.1577	1.7562		2.5023	2.5023	3.0722	2.5165	2.5165	3.0722
H6	2.1824	1.0937	3.4980	2.5023	2.5023		4.3410	1.7707	1.7707	3.8052	3.8052
H7	2.1824	3.4980	1.0937	2.5023	2.5023	4.3410		3.8052	3.8052	1.7707	1.7707
H8	2.1739	1.0949	2.8009	2.5165	3.0722	1.7707	3.8052		1.7685	3.1555	2.6134
H9	2.1739	1.0949	2.8009	3.0722	2.5165	1.7707	3.8052	1.7685		2.6134	3.1555
H10	2.1739	2.8009	1.0949	3.0722	2.5165	3.8052	1.7707	3.1555	2.6134		1.7685
H11	2.1739	2.8009	1.0949	2.5165	3.0722	3.8052	1.7707	2.6134	3.1555	1.7685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.489	C1	C2	H8	110.736
C1	C2	H9	110.736	C1	C3	H7	111.489
C1	C3	H10	110.736	C1	C3	H11	110.736
C2	C1	C3	112.429	C2	C1	H4	109.422
C2	C1	H5	109.422	C3	C1	H4	109.422
C3	C1	H5	109.422	H4	C1	H5	106.551
H6	C2	H8	108.005	H6	C2	H9	108.005
H7	C3	H10	108.005	H7	C3	H11	108.005
H8	C2	H9	107.729	H10	C3	H11	107.729

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP3=FULL/6-311G**

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/6-311G**

States and conformations

All results from a given calculation for C₃H₈ (Propane)