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	hartrees
Energy at 0K	-117.046714
Energy at 298.15K	-117.054988
HF Energy	-116.883995
Nuclear repulsion energy	81.307069

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3556	3161	5.28	31.84	0.73	0.84
2	A₁	3409	3030	5.81	32.89	0.17	0.29
3	A₁	3374	2999	2.10	63.96	0.00	0.01
4	A₁	1750	1556	0.43	7.35	0.75	0.85
5	A₁	1718	1527	0.35	33.48	0.75	0.86
6	A₁	1630	1449	0.00	3.41	0.68	0.81
7	A₁	1312	1167	1.82	5.10	0.53	0.70
8	A₁	977	869	0.56	8.58	0.29	0.45
9	A₁	388	345	0.17	0.22	0.29	0.45
10	A₂	3555	3160	0.00	2.33	0.75	0.86
11	A₂	1735	1542	0.00	29.93	0.75	0.86
12	A₂	1463	1301	0.00	14.76	0.75	0.86
13	A₂	1021	908	0.00	0.01	0.75	0.86
14	A₂	218	194	0.00	0.00	0.75	0.86
15	B₁	3557	3162	10.08	25.34	0.75	0.86
16	B₁	3519	3128	2.83	41.56	0.75	0.86
17	B₁	1740	1547	2.58	1.05	0.75	0.86
18	B₁	1365	1214	0.42	3.64	0.75	0.86
19	B₁	825	733	3.31	0.02	0.75	0.86
20	B₁	261	232	0.00	0.01	0.75	0.86
21	B₂	3554	3159	2.09	19.67	0.75	0.86
22	B₂	3375	3000	4.92	2.81	0.75	0.86
23	B₂	1741	1547	0.17	0.00	0.75	0.86
24	B₂	1626	1445	0.00	6.03	0.75	0.86
25	B₂	1548	1376	10.54	0.10	0.75	0.86
26	B₂	1185	1053	0.09	7.83	0.75	0.86
27	B₂	1049	933	1.46	0.39	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.601
C2	0.000	1.295	-0.267
C3	0.000	-1.295	-0.267
H4	0.890	0.000	1.258
H5	-0.890	0.000	1.258
H6	0.000	2.194	0.372
H7	0.000	-2.194	0.372
H8	0.893	1.331	-0.914
H9	-0.893	1.331	-0.914
H10	-0.893	-1.331	-0.914
H11	0.893	-1.331	-0.914

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5591	1.5591	1.1063	1.1063	2.2061	2.2061	2.2054	2.2054	2.2054	2.2054
C2	1.5591		2.5897	2.1900	2.1900	1.1033	3.5470	1.1033	1.1033	2.8477	2.8477
C3	1.5591	2.5897		2.1900	2.1900	3.5470	1.1033	2.8477	2.8477	1.1033	1.1033
H4	1.1063	2.1900	2.1900		1.7804	2.5283	2.5283	2.5471	3.1094	3.1094	2.5471
H5	1.1063	2.1900	2.1900	1.7804		2.5283	2.5283	3.1094	2.5471	2.5471	3.1094
H6	2.2061	1.1033	3.5470	2.5283	2.5283		4.3883	1.7878	1.7878	3.8569	3.8569
H7	2.2061	3.5470	1.1033	2.5283	2.5283	4.3883		3.8569	3.8569	1.7878	1.7878
H8	2.2054	1.1033	2.8477	2.5471	3.1094	1.7878	3.8569		1.7866	3.2055	2.6615
H9	2.2054	1.1033	2.8477	3.1094	2.5471	1.7878	3.8569	1.7866		2.6615	3.2055
H10	2.2054	2.8477	1.1033	3.1094	2.5471	3.8569	1.7878	3.2055	2.6615		1.7866
H11	2.2054	2.8477	1.1033	2.5471	3.1094	3.8569	1.7878	2.6615	3.2055	1.7866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.748	C1	C2	H8	110.695
C1	C2	H9	110.695	C1	C3	H7	110.748
C1	C3	H10	110.695	C1	C3	H11	110.695
C2	C1	C3	112.299	C2	C1	H4	109.315
C2	C1	H5	109.315	C3	C1	H4	109.315
C3	C1	H5	109.315	H4	C1	H5	107.146
H6	C2	H8	108.234	H6	C2	H9	108.234
H7	C3	H10	108.234	H7	C3	H11	108.234
H8	C2	H9	108.136	H10	C3	H11	108.136

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP2=FULL/STO-3G

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: MP2=FULL/STO-3G

States and conformations

All results from a given calculation for C₃H₈ (Propane)