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	hartrees
Energy at 0K	-117.892411
Energy at 298.15K	-117.900892
HF Energy	-117.612537
Nuclear repulsion energy	81.920067

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	3155	3011	41.82	66.41	0.65	0.79
2	A₁	3089	2948	20.55	69.59	0.23	0.37
3	A₁	3080	2940	9.19	170.51	0.00	0.01
4	A₁	1612	1539	4.43	18.66	0.74	0.85
5	A₁	1593	1521	0.38	36.08	0.75	0.86
6	A₁	1502	1434	3.99	3.02	0.63	0.77
7	A₁	1231	1175	1.92	5.44	0.61	0.76
8	A₁	866	826	0.84	10.93	0.24	0.39
9	A₁	383	366	0.21	0.26	0.10	0.18
10	A₂	3148	3005	0.00	3.95	0.75	0.86
11	A₂	1595	1523	0.00	43.85	0.75	0.86
12	A₂	1387	1324	0.00	15.59	0.75	0.86
13	A₂	974	930	0.00	0.04	0.75	0.86
14	A₂	238	227	0.00	0.00	0.75	0.86
15	B₁	3161	3017	77.96	18.58	0.75	0.86
16	B₁	3121	2979	1.07	127.76	0.75	0.86
17	B₁	1611	1538	12.34	0.16	0.75	0.86
18	B₁	1287	1229	0.44	1.77	0.75	0.86
19	B₁	785	749	4.69	0.14	0.75	0.86
20	B₁	284	271	0.00	0.02	0.75	0.86
21	B₂	3152	3008	22.06	42.94	0.75	0.86
22	B₂	3079	2939	25.12	4.23	0.75	0.86
23	B₂	1601	1528	2.46	0.07	0.75	0.86
24	B₂	1485	1417	3.74	5.00	0.75	0.86
25	B₂	1429	1364	2.32	2.58	0.75	0.86
26	B₂	1057	1009	2.03	4.70	0.75	0.86
27	B₂	976	932	2.81	1.35	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.603
C2	0.000	1.282	-0.267
C3	0.000	-1.282	-0.267
H4	0.883	0.000	1.253
H5	-0.883	0.000	1.253
H6	0.000	2.183	0.357
H7	0.000	-2.183	0.357
H8	0.888	1.305	-0.909
H9	-0.888	1.305	-0.909
H10	-0.888	-1.305	-0.909
H11	0.888	-1.305	-0.909

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5497	1.5497	1.0966	1.0966	2.1969	2.1969	2.1857	2.1857	2.1857	2.1857
C2	1.5497		2.5646	2.1761	2.1761	1.0955	3.5209	1.0958	1.0958	2.8096	2.8096
C3	1.5497	2.5646		2.1761	2.1761	3.5209	1.0955	2.8096	2.8096	1.0958	1.0958
H4	1.0966	2.1761	2.1761		1.7665	2.5198	2.5198	2.5252	3.0844	3.0844	2.5252
H5	1.0966	2.1761	2.1761	1.7665		2.5198	2.5198	3.0844	2.5252	2.5252	3.0844
H6	2.1969	1.0955	3.5209	2.5198	2.5198		4.3660	1.7778	1.7778	3.8151	3.8151
H7	2.1969	3.5209	1.0955	2.5198	2.5198	4.3660		3.8151	3.8151	1.7778	1.7778
H8	2.1857	1.0958	2.8096	2.5252	3.0844	1.7778	3.8151		1.7760	3.1568	2.6098
H9	2.1857	1.0958	2.8096	3.0844	2.5252	1.7778	3.8151	1.7760		2.6098	3.1568
H10	2.1857	2.8096	1.0958	3.0844	2.5252	3.8151	1.7778	3.1568	2.6098		1.7760
H11	2.1857	2.8096	1.0958	2.5252	3.0844	3.8151	1.7778	2.6098	3.1568	1.7760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.141	C1	C2	H8	110.237
C1	C2	H9	110.237	C1	C3	H7	111.141
C1	C3	H10	110.237	C1	C3	H11	110.237
C2	C1	C3	111.676	C2	C1	H4	109.440
C2	C1	H5	109.440	C3	C1	H4	109.440
C3	C1	H5	109.440	H4	C1	H5	107.304
H6	C2	H8	108.444	H6	C2	H9	108.444
H7	C3	H10	108.444	H7	C3	H11	108.444
H8	C2	H9	108.258	H10	C3	H11	108.258

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

All results from a given calculation for C₃H₈ (Propane)