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	hartrees
Energy at 0K	-118.810543
Energy at 298.15K	-118.818957
HF Energy	-118.295348
Nuclear repulsion energy	82.347380

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3137	2996	51.54
2	A₁	3062	2924	24.38
3	A₁	3055	2918	22.41
4	A₁	1538	1469	3.81
5	A₁	1516	1448	0.09
6	A₁	1450	1385	2.55
7	A₁	1201	1147	0.69
8	A₁	899	858	0.60
9	A₁	370	353	0.01
10	A₂	3124	2984	0.00
11	A₂	1514	1446	0.00
12	A₂	1339	1279	0.00
13	A₂	924	882	0.00
14	A₂	220	210	0.00
15	B₁	3136	2995	100.84
16	B₁	3094	2955	2.69
17	B₁	1531	1463	11.53
18	B₁	1241	1185	0.04
19	B₁	762	728	1.65
20	B₁	284	271	0.00
21	B₂	3134	2993	29.00
22	B₂	3052	2915	32.86
23	B₂	1523	1454	1.37
24	B₂	1441	1377	4.83
25	B₂	1394	1332	1.53
26	B₂	1092	1043	0.33
27	B₂	946	903	1.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.591
C2	0.000	1.273	-0.261
C3	0.000	-1.273	-0.261
H4	0.880	0.000	1.247
H5	-0.880	0.000	1.247
H6	0.000	2.173	0.363
H7	0.000	-2.173	0.363
H8	0.886	1.309	-0.907
H9	-0.886	1.309	-0.907
H10	-0.886	-1.309	-0.907
H11	0.886	-1.309	-0.907

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5321	1.5321	1.0975	1.0975	2.1853	2.1853	2.1773	2.1773	2.1773	2.1773
C2	1.5321		2.5467	2.1611	2.1611	1.0955	3.5029	1.0967	1.0967	2.8052	2.8052
C3	1.5321	2.5467		2.1611	2.1611	3.5029	1.0955	2.8052	2.8052	1.0967	1.0967
H4	1.0975	2.1611	2.1611		1.7593	2.5057	2.5057	2.5204	3.0772	3.0772	2.5204
H5	1.0975	2.1611	2.1611	1.7593		2.5057	2.5057	3.0772	2.5204	2.5204	3.0772
H6	2.1853	1.0955	3.5029	2.5057	2.5057		4.3469	1.7735	1.7735	3.8111	3.8111
H7	2.1853	3.5029	1.0955	2.5057	2.5057	4.3469		3.8111	3.8111	1.7735	1.7735
H8	2.1773	1.0967	2.8052	2.5204	3.0772	1.7735	3.8111		1.7717	3.1609	2.6177
H9	2.1773	1.0967	2.8052	3.0772	2.5204	1.7735	3.8111	1.7717		2.6177	3.1609
H10	2.1773	2.8052	1.0967	3.0772	2.5204	3.8111	1.7735	3.1609	2.6177		1.7717
H11	2.1773	2.8052	1.0967	2.5204	3.0772	3.8111	1.7735	2.6177	3.1609	1.7717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.457	C1	C2	H8	110.748
C1	C2	H9	110.748	C1	C3	H7	111.457
C1	C3	H10	110.748	C1	C3	H11	110.748
C2	C1	C3	112.425	C2	C1	H4	109.424
C2	C1	H5	109.424	C3	C1	H4	109.424
C3	C1	H5	109.424	H4	C1	H5	106.545
H6	C2	H8	107.997	H6	C2	H9	107.997
H7	C3	H10	107.997	H7	C3	H11	107.997
H8	C2	H9	107.751	H10	C3	H11	107.751

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: CCD/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: CCD/6-311G**

States and conformations

All results from a given calculation for C₃H₈ (Propane)