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	hartrees
Energy at 0K	-21.533281
Energy at 298.15K	-21.541675
HF Energy	-21.130259
Nuclear repulsion energy	49.582955

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	3157	3008	56.19	84.43	0.65	0.79
2	A₁	3071	2926	29.76	148.37	0.11	0.19
3	A₁	3058	2914	24.34	223.60	0.00	0.00
4	A₁	1551	1478	5.98	3.26	0.73	0.84
5	A₁	1528	1456	0.02	30.32	0.73	0.85
6	A₁	1456	1387	4.17	1.39	0.14	0.25
7	A₁	1199	1143	0.88	2.90	0.37	0.54
8	A₁	894	852	0.84	12.81	0.21	0.35
9	A₁	370	352	0.01	0.39	0.10	0.19
10	A₂	3148	3000	0.00	6.98	0.75	0.86
11	A₂	1527	1455	0.00	23.99	0.75	0.86
12	A₂	1332	1269	0.00	9.27	0.75	0.86
13	A₂	915	872	0.00	0.01	0.75	0.86
14	A₂	220	210	0.00	0.03	0.75	0.86
15	B₁	3159	3010	110.12	26.52	0.75	0.86
16	B₁	3118	2971	2.82	159.83	0.75	0.86
17	B₁	1547	1474	15.88	0.02	0.75	0.86
18	B₁	1240	1181	0.00	0.05	0.75	0.86
19	B₁	751	716	2.33	0.29	0.75	0.86
20	B₁	287	274	0.00	0.00	0.75	0.86
21	B₂	3155	3006	31.31	53.06	0.75	0.86
22	B₂	3056	2912	40.22	3.53	0.75	0.86
23	B₂	1533	1461	2.64	0.18	0.75	0.86
24	B₂	1443	1375	6.59	0.43	0.75	0.86
25	B₂	1388	1323	1.65	0.11	0.75	0.86
26	B₂	1086	1035	0.57	7.65	0.75	0.86
27	B₂	933	889	1.74	0.08	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.595
C2	0.000	1.277	-0.263
C3	0.000	-1.277	-0.263
H4	0.881	0.000	1.248
H5	-0.881	0.000	1.248
H6	0.000	2.178	0.360
H7	0.000	-2.178	0.360
H8	0.886	1.311	-0.907
H9	-0.886	1.311	-0.907
H10	-0.886	-1.311	-0.907
H11	0.886	-1.311	-0.907

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5382	1.5382	1.0973	1.0973	2.1906	2.1906	2.1819	2.1819	2.1819	2.1819
C2	1.5382		2.5540	2.1660	2.1660	1.0955	3.5108	1.0963	1.0963	2.8106	2.8106
C3	1.5382	2.5540		2.1660	2.1660	3.5108	1.0955	2.8106	2.8106	1.0963	1.0963
H4	1.0973	2.1660	2.1660		1.7626	2.5119	2.5119	2.5232	3.0807	3.0807	2.5232
H5	1.0973	2.1660	2.1660	1.7626		2.5119	2.5119	3.0807	2.5232	2.5232	3.0807
H6	2.1906	1.0955	3.5108	2.5119	2.5119		4.3561	1.7731	1.7731	3.8167	3.8167
H7	2.1906	3.5108	1.0955	2.5119	2.5119	4.3561		3.8167	3.8167	1.7731	1.7731
H8	2.1819	1.0963	2.8106	2.5232	3.0807	1.7731	3.8167		1.7724	3.1651	2.6223
H9	2.1819	1.0963	2.8106	3.0807	2.5232	1.7731	3.8167	1.7724		2.6223	3.1651
H10	2.1819	2.8106	1.0963	3.0807	2.5232	3.8167	1.7731	3.1651	2.6223		1.7724
H11	2.1819	2.8106	1.0963	2.5232	3.0807	3.8167	1.7731	2.6223	3.1651	1.7724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.452	C1	C2	H8	110.706
C1	C2	H9	110.706	C1	C3	H7	111.452
C1	C3	H10	110.706	C1	C3	H11	110.706
C2	C1	C3	112.238	C2	C1	H4	109.399
C2	C1	H5	109.399	C3	C1	H4	109.399
C3	C1	H5	109.399	H4	C1	H5	106.859
H6	C2	H8	107.985	H6	C2	H9	107.985
H7	C3	H10	107.985	H7	C3	H11	107.985
H8	C2	H9	107.871	H10	C3	H11	107.871

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

All results from a given calculation for C₃H₈ (Propane)