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	hartrees
Energy at 0K	-118.740613
Energy at 298.15K	-118.748986
HF Energy	-118.276112
Nuclear repulsion energy	82.174694

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	3148	3148	42.09	85.62	0.58	0.73
2	A₁	3061	3061	34.53	101.97	0.13	0.23
3	A₁	3051	3051	13.74	385.62	0.00	0.00
4	A₁	1500	1500	4.27	1.33	0.74	0.85
5	A₁	1476	1476	0.00	11.81	0.74	0.85
6	A₁	1402	1402	2.66	0.13	0.06	0.11
7	A₁	1173	1173	0.59	3.52	0.13	0.23
8	A₁	894	894	0.74	13.21	0.12	0.21
9	A₁	366	366	0.03	0.50	0.29	0.45
10	A₂	3136	3136	0.00	8.05	0.75	0.86
11	A₂	1480	1480	0.00	9.62	0.75	0.86
12	A₂	1307	1307	0.00	2.19	0.75	0.86
13	A₂	898	898	0.00	0.21	0.75	0.86
14	A₂	221	221	0.00	0.01	0.75	0.86
15	B₁	3144	3144	85.10	23.49	0.75	0.86
16	B₁	3105	3105	2.57	136.37	0.75	0.86
17	B₁	1499	1499	12.46	0.03	0.75	0.86
18	B₁	1203	1203	0.03	0.26	0.75	0.86
19	B₁	741	741	2.18	0.04	0.75	0.86
20	B₁	278	278	0.00	0.02	0.75	0.86
21	B₂	3147	3147	27.89	47.86	0.75	0.86
22	B₂	3050	3050	33.59	1.02	0.75	0.86
23	B₂	1485	1485	1.61	0.06	0.75	0.86
24	B₂	1390	1390	4.68	0.13	0.75	0.86
25	B₂	1347	1347	1.65	0.66	0.75	0.86
26	B₂	1086	1086	0.41	5.10	0.75	0.86
27	B₂	917	917	1.31	0.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.595
C2	0.000	1.271	-0.262
C3	0.000	-1.271	-0.262
H4	0.884	0.000	1.254
H5	-0.884	0.000	1.254
H6	0.000	2.180	0.359
H7	0.000	-2.180	0.359
H8	0.890	1.305	-0.912
H9	-0.890	1.305	-0.912
H10	-0.890	-1.305	-0.912
H11	0.890	-1.305	-0.912

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5331	1.5331	1.1030	1.1030	2.1929	2.1929	2.1824	2.1824	2.1824	2.1824
C2	1.5331		2.5425	2.1673	2.1673	1.1009	3.5069	1.1021	1.1021	2.8016	2.8016
C3	1.5331	2.5425		2.1673	2.1673	3.5069	1.1009	2.8016	2.8016	1.1021	1.1021
H4	1.1030	2.1673	2.1673		1.7683	2.5172	2.5172	2.5283	3.0887	3.0887	2.5283
H5	1.1030	2.1673	2.1673	1.7683		2.5172	2.5172	3.0887	2.5283	2.5283	3.0887
H6	2.1929	1.1009	3.5069	2.5172	2.5172		4.3604	1.7813	1.7813	3.8145	3.8145
H7	2.1929	3.5069	1.1009	2.5172	2.5172	4.3604		3.8145	3.8145	1.7813	1.7813
H8	2.1824	1.1021	2.8016	2.5283	3.0887	1.7813	3.8145		1.7799	3.1585	2.6092
H9	2.1824	1.1021	2.8016	3.0887	2.5283	1.7813	3.8145	1.7799		2.6092	3.1585
H10	2.1824	2.8016	1.1021	3.0887	2.5283	3.8145	1.7813	3.1585	2.6092		1.7799
H11	2.1824	2.8016	1.1021	2.5283	3.0887	3.8145	1.7813	2.6092	3.1585	1.7799

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.670	C1	C2	H8	110.755
C1	C2	H9	110.755	C1	C3	H7	111.670
C1	C3	H10	110.755	C1	C3	H11	110.755
C2	C1	C3	112.038	C2	C1	H4	109.524
C2	C1	H5	109.524	C3	C1	H4	109.524
C3	C1	H5	109.524	H4	C1	H5	106.556
H6	C2	H8	107.905	H6	C2	H9	107.905
H7	C3	H10	107.905	H7	C3	H11	107.905
H8	C2	H9	107.697	H10	C3	H11	107.697

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP2/daug-cc-pVDZ

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/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₈ (Propane)