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	hartrees
Energy at 0K	-118.772948
Energy at 298.15K	-118.781375
HF Energy	-118.304446
Nuclear repulsion energy	82.793230

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	3170	3005	43.92	81.70	0.62	0.76
2	A₁	3088	2927	31.68	99.73	0.15	0.26
3	A₁	3078	2918	13.84	298.71	0.00	0.00
4	A₁	1534	1454	4.91	4.24	0.75	0.86
5	A₁	1511	1433	0.00	24.31	0.74	0.85
6	A₁	1448	1372	3.13	0.57	0.35	0.52
7	A₁	1203	1140	0.68	2.22	0.29	0.45
8	A₁	900	854	0.63	11.31	0.20	0.34
9	A₁	372	352	0.00	0.32	0.13	0.23
10	A₂	3160	2995	0.00	6.61	0.75	0.86
11	A₂	1510	1431	0.00	21.37	0.75	0.86
12	A₂	1334	1264	0.00	7.64	0.75	0.86
13	A₂	926	878	0.00	0.03	0.75	0.86
14	A₂	220	208	0.00	0.02	0.75	0.86
15	B₁	3170	3004	87.21	24.46	0.75	0.86
16	B₁	3128	2965	2.28	147.69	0.75	0.86
17	B₁	1529	1449	13.29	0.00	0.75	0.86
18	B₁	1239	1174	0.02	0.02	0.75	0.86
19	B₁	766	726	1.66	0.23	0.75	0.86
20	B₁	291	276	0.00	0.00	0.75	0.86
21	B₂	3168	3003	26.06	49.42	0.75	0.86
22	B₂	3076	2916	32.01	2.49	0.75	0.86
23	B₂	1517	1438	1.79	0.21	0.75	0.86
24	B₂	1432	1357	5.11	0.29	0.75	0.86
25	B₂	1390	1318	1.63	0.08	0.75	0.86
26	B₂	1090	1033	0.51	6.41	0.75	0.86
27	B₂	946	897	1.09	0.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.590
C2	0.000	1.265	-0.260
C3	0.000	-1.265	-0.260
H4	0.876	0.000	1.243
H5	-0.876	0.000	1.243
H6	0.000	2.165	0.355
H7	0.000	-2.165	0.355
H8	0.881	1.297	-0.903
H9	-0.881	1.297	-0.903
H10	-0.881	-1.297	-0.903
H11	0.881	-1.297	-0.903

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5237	1.5237	1.0924	1.0924	2.1773	2.1773	2.1653	2.1653	2.1653	2.1653
C2	1.5237		2.5291	2.1505	2.1505	1.0905	3.4840	1.0915	1.0915	2.7845	2.7845
C3	1.5237	2.5291		2.1505	2.1505	3.4840	1.0905	2.7845	2.7845	1.0915	1.0915
H4	1.0924	2.1505	2.1505		1.7520	2.4980	2.4980	2.5073	3.0619	3.0619	2.5073
H5	1.0924	2.1505	2.1505	1.7520		2.4980	2.4980	3.0619	2.5073	2.5073	3.0619
H6	2.1773	1.0905	3.4840	2.4980	2.4980		4.3292	1.7643	1.7643	3.7876	3.7876
H7	2.1773	3.4840	1.0905	2.4980	2.4980	4.3292		3.7876	3.7876	1.7643	1.7643
H8	2.1653	1.0915	2.7845	2.5073	3.0619	1.7643	3.7876		1.7630	3.1369	2.5946
H9	2.1653	1.0915	2.7845	3.0619	2.5073	1.7643	3.7876	1.7630		2.5946	3.1369
H10	2.1653	2.7845	1.0915	3.0619	2.5073	3.7876	1.7643	3.1369	2.5946		1.7630
H11	2.1653	2.7845	1.0915	2.5073	3.0619	3.7876	1.7643	2.5946	3.1369	1.7630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.724	C1	C2	H8	110.701
C1	C2	H9	110.701	C1	C3	H7	111.724
C1	C3	H10	110.701	C1	C3	H11	110.701
C2	C1	C3	112.183	C2	C1	H4	109.470
C2	C1	H5	109.470	C3	C1	H4	109.470
C3	C1	H5	109.470	H4	C1	H5	106.620
H6	C2	H8	107.920	H6	C2	H9	107.920
H7	C3	H10	107.920	H7	C3	H11	107.920
H8	C2	H9	107.725	H10	C3	H11	107.725

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP2/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: MP2/TZVP

States and conformations

All results from a given calculation for C₃H₈ (Propane)