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	hartrees
Energy at 0K	-118.713587
Energy at 298.15K	-118.722077
HF Energy	-118.276128
Nuclear repulsion energy	82.870364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3243	2976	54.29
2	A₁	3162	2902	8.76
3	A₁	3159	2899	39.13
4	A₁	1601	1469	2.44
5	A₁	1578	1448	0.05
6	A₁	1510	1385	1.64
7	A₁	1243	1140	0.77
8	A₁	922	846	0.56
9	A₁	382	351	0.03
10	A₂	3232	2966	0.00
11	A₂	1578	1448	0.00
12	A₂	1385	1271	0.00
13	A₂	953	874	0.00
14	A₂	233	214	0.00
15	B₁	3242	2975	103.65
16	B₁	3197	2933	6.29
17	B₁	1595	1464	9.35
18	B₁	1286	1180	0.04
19	B₁	782	717	2.02
20	B₁	291	267	0.00
21	B₂	3241	2974	30.03
22	B₂	3156	2896	34.49
23	B₂	1585	1455	1.16
24	B₂	1500	1376	3.47
25	B₂	1446	1327	2.76
26	B₂	1120	1027	0.21
27	B₂	978	897	1.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.586
C2	0.000	1.268	-0.259
C3	0.000	-1.268	-0.259
H4	0.871	0.000	1.239
H5	-0.871	0.000	1.239
H6	0.000	2.159	0.361
H7	0.000	-2.159	0.361
H8	0.878	1.307	-0.900
H9	-0.878	1.307	-0.900
H10	-0.878	-1.307	-0.900
H11	0.878	-1.307	-0.900

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5238	1.5238	1.0886	1.0886	2.1710	2.1710	2.1648	2.1648	2.1648	2.1648
C2	1.5238		2.5359	2.1472	2.1472	1.0862	3.4831	1.0873	1.0873	2.7951	2.7951
C3	1.5238	2.5359		2.1472	2.1472	3.4831	1.0862	2.7951	2.7951	1.0873	1.0873
H4	1.0886	2.1472	2.1472		1.7420	2.4882	2.4882	2.5065	3.0562	3.0562	2.5065
H5	1.0886	2.1472	2.1472	1.7420		2.4882	2.4882	3.0562	2.5065	2.5065	3.0562
H6	2.1710	1.0862	3.4831	2.4882	2.4882		4.3187	1.7570	1.7570	3.7920	3.7920
H7	2.1710	3.4831	1.0862	2.4882	2.4882	4.3187		3.7920	3.7920	1.7570	1.7570
H8	2.1648	1.0873	2.7951	2.5065	3.0562	1.7570	3.7920		1.7554	3.1493	2.6147
H9	2.1648	1.0873	2.7951	3.0562	2.5065	1.7570	3.7920	1.7554		2.6147	3.1493
H10	2.1648	2.7951	1.0873	3.0562	2.5065	3.7920	1.7570	3.1493	2.6147		1.7554
H11	2.1648	2.7951	1.0873	2.5065	3.0562	3.7920	1.7570	2.6147	3.1493	1.7554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.465	C1	C2	H8	110.906
C1	C2	H9	110.906	C1	C3	H7	111.465
C1	C3	H10	110.906	C1	C3	H11	110.906
C2	C1	C3	112.632	C2	C1	H4	109.432
C2	C1	H5	109.432	C3	C1	H4	109.432
C3	C1	H5	109.432	H4	C1	H5	106.282
H6	C2	H8	107.871	H6	C2	H9	107.871
H7	C3	H10	107.871	H7	C3	H11	107.871
H8	C2	H9	107.663	H10	C3	H11	107.663

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: CISD/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: CISD/6-31G**

States and conformations

All results from a given calculation for C₃H₈ (Propane)