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	hartrees
Energy at 0K	-118.818748
Energy at 298.15K	-118.827158
HF Energy	-118.304351
Nuclear repulsion energy	82.594577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3135	2992	55.42
2	A₁	3063	2923	20.23
3	A₁	3058	2918	28.43
4	A₁	1538	1467	3.81
5	A₁	1515	1446	0.06
6	A₁	1458	1391	2.15
7	A₁	1205	1150	0.55
8	A₁	895	854	0.44
9	A₁	371	354	0.00
10	A₂	3122	2980	0.00
11	A₂	1513	1444	0.00
12	A₂	1336	1276	0.00
13	A₂	927	885	0.00
14	A₂	214	205	0.00
15	B₁	3134	2991	107.03
16	B₁	3092	2951	2.45
17	B₁	1530	1460	10.94
18	B₁	1244	1187	0.00
19	B₁	764	729	1.11
20	B₁	284	272	0.00
21	B₂	3132	2989	32.09
22	B₂	3054	2915	34.01
23	B₂	1520	1451	1.31
24	B₂	1444	1378	4.02
25	B₂	1401	1337	2.19
26	B₂	1084	1035	0.41
27	B₂	948	905	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.589
C2	0.000	1.270	-0.260
C3	0.000	-1.270	-0.260
H4	0.877	0.000	1.243
H5	-0.877	0.000	1.243
H6	0.000	2.168	0.361
H7	0.000	-2.168	0.361
H8	0.883	1.306	-0.904
H9	-0.883	1.306	-0.904
H10	-0.883	-1.306	-0.904
H11	0.883	-1.306	-0.904

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5274	1.5274	1.0942	1.0942	2.1794	2.1794	2.1713	2.1713	2.1713	2.1713
C2	1.5274		2.5391	2.1543	2.1543	1.0922	3.4928	1.0933	1.0933	2.7978	2.7978
C3	1.5274	2.5391		2.1543	2.1543	3.4928	1.0922	2.7978	2.7978	1.0933	1.0933
H4	1.0942	2.1543	2.1543		1.7545	2.4990	2.4990	2.5129	3.0681	3.0681	2.5129
H5	1.0942	2.1543	2.1543	1.7545		2.4990	2.4990	3.0681	2.5129	2.5129	3.0681
H6	2.1794	1.0922	3.4928	2.4990	2.4990		4.3350	1.7671	1.7671	3.8009	3.8009
H7	2.1794	3.4928	1.0922	2.4990	2.4990	4.3350		3.8009	3.8009	1.7671	1.7671
H8	2.1713	1.0933	2.7978	2.5129	3.0681	1.7671	3.8009		1.7662	3.1532	2.6122
H9	2.1713	1.0933	2.7978	3.0681	2.5129	1.7671	3.8009	1.7662		2.6122	3.1532
H10	2.1713	2.7978	1.0933	3.0681	2.5129	3.8009	1.7671	3.1532	2.6122		1.7662
H11	2.1713	2.7978	1.0933	2.5129	3.0681	3.8009	1.7671	2.6122	3.1532	1.7662

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.523	C1	C2	H8	110.800
C1	C2	H9	110.800	C1	C3	H7	111.523
C1	C3	H10	110.800	C1	C3	H11	110.800
C2	C1	C3	112.435	C2	C1	H4	109.410
C2	C1	H5	109.410	C3	C1	H4	109.410
C3	C1	H5	109.410	H4	C1	H5	106.595
H6	C2	H8	107.912	H6	C2	H9	107.912
H7	C3	H10	107.912	H7	C3	H11	107.912
H8	C2	H9	107.745	H10	C3	H11	107.745

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: CCSD/TZVP

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: CCSD/TZVP

States and conformations

All results from a given calculation for C₃H₈ (Propane)