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	hartrees
Energy at 0K	-118.769158
Energy at 298.15K	-118.777607
HF Energy	-118.276030
Nuclear repulsion energy	82.638066

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3199	2999	50.04
2	A₁	3114	2919	16.69
3	A₁	3112	2918	28.57
4	A₁	1576	1478	2.23
5	A₁	1553	1456	0.05
6	A₁	1484	1391	1.44
7	A₁	1221	1145	0.65
8	A₁	910	853	0.55
9	A₁	376	353	0.03
10	A₂	3188	2989	0.00
11	A₂	1553	1456	0.00
12	A₂	1361	1276	0.00
13	A₂	937	879	0.00
14	A₂	230	216	0.00
15	B₁	3197	2998	95.83
16	B₁	3151	2955	6.97
17	B₁	1570	1472	8.77
18	B₁	1266	1187	0.03
19	B₁	768	721	1.86
20	B₁	287	269	0.00
21	B₂	3197	2997	27.84
22	B₂	3109	2915	32.22
23	B₂	1561	1463	1.15
24	B₂	1473	1381	3.11
25	B₂	1422	1334	2.91
26	B₂	1105	1036	0.16
27	B₂	960	900	1.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.587
C2	0.000	1.271	-0.260
C3	0.000	-1.271	-0.260
H4	0.874	0.000	1.243
H5	-0.874	0.000	1.243
H6	0.000	2.165	0.363
H7	0.000	-2.165	0.363
H8	0.881	1.309	-0.903
H9	-0.881	1.309	-0.903
H10	-0.881	-1.309	-0.903
H11	0.881	-1.309	-0.903

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5273	1.5273	1.0928	1.0928	2.1770	2.1770	2.1702	2.1702	2.1702	2.1702
C2	1.5273		2.5414	2.1535	2.1535	1.0902	3.4921	1.0913	1.0913	2.8007	2.8007
C3	1.5273	2.5414		2.1535	2.1535	3.4921	1.0902	2.8007	2.8007	1.0913	1.0913
H4	1.0928	2.1535	2.1535		1.7488	2.4956	2.4956	2.5132	3.0656	3.0656	2.5132
H5	1.0928	2.1535	2.1535	1.7488		2.4956	2.4956	3.0656	2.5132	2.5132	3.0656
H6	2.1770	1.0902	3.4921	2.4956	2.4956		4.3309	1.7640	1.7640	3.8012	3.8012
H7	2.1770	3.4921	1.0902	2.4956	2.4956	4.3309		3.8012	3.8012	1.7640	1.7640
H8	2.1702	1.0913	2.8007	2.5132	3.0656	1.7640	3.8012		1.7623	3.1557	2.6178
H9	2.1702	1.0913	2.8007	3.0656	2.5132	1.7640	3.8012	1.7623		2.6178	3.1557
H10	2.1702	2.8007	1.0913	3.0656	2.5132	3.8012	1.7640	3.1557	2.6178		1.7623
H11	2.1702	2.8007	1.0913	2.5132	3.0656	3.8012	1.7640	2.6178	3.1557	1.7623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.456	C1	C2	H8	110.846
C1	C2	H9	110.846	C1	C3	H7	111.456
C1	C3	H10	110.846	C1	C3	H11	110.846
C2	C1	C3	112.605	C2	C1	H4	109.437
C2	C1	H5	109.437	C3	C1	H4	109.437
C3	C1	H5	109.437	H4	C1	H5	106.289
H6	C2	H8	107.923	H6	C2	H9	107.923
H7	C3	H10	107.923	H7	C3	H11	107.923
H8	C2	H9	107.697	H10	C3	H11	107.697

All results from a given calculation for C₃H₈ (Propane)

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

States and conformations

All results from a given calculation for C₃H₈ (Propane)