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	hartrees
Energy at 0K	-117.045298
Energy at 298.15K	-117.053572
HF Energy	-116.883959
Nuclear repulsion energy	81.294985

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	3555	3100	5.30	31.86	0.73	0.84
2	A₁	3408	2971	5.82	32.87	0.17	0.29
3	A₁	3374	2941	2.10	64.02	0.00	0.01
4	A₁	1750	1526	0.43	7.38	0.75	0.85
5	A₁	1717	1497	0.35	33.46	0.75	0.86
6	A₁	1630	1421	0.00	3.40	0.68	0.81
7	A₁	1312	1144	1.82	5.11	0.54	0.70
8	A₁	977	852	0.56	8.59	0.29	0.45
9	A₁	388	338	0.17	0.22	0.29	0.45
10	A₂	3554	3099	0.00	2.33	0.75	0.86
11	A₂	1735	1512	0.00	29.93	0.75	0.86
12	A₂	1463	1275	0.00	14.77	0.75	0.86
13	A₂	1021	890	0.00	0.01	0.75	0.86
14	A₂	218	190	0.00	0.00	0.75	0.86
15	B₁	3556	3100	10.12	25.34	0.75	0.86
16	B₁	3518	3067	2.84	41.59	0.75	0.86
17	B₁	1740	1517	2.57	1.05	0.75	0.86
18	B₁	1365	1190	0.42	3.64	0.75	0.86
19	B₁	825	719	3.30	0.02	0.75	0.86
20	B₁	261	227	0.00	0.01	0.75	0.86
21	B₂	3554	3098	2.10	19.67	0.75	0.86
22	B₂	3375	2942	4.92	2.82	0.75	0.86
23	B₂	1741	1518	0.17	0.00	0.75	0.86
24	B₂	1625	1417	0.00	6.02	0.75	0.86
25	B₂	1548	1349	10.58	0.10	0.75	0.86
26	B₂	1184	1033	0.09	7.84	0.75	0.86
27	B₂	1049	915	1.45	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	-0.268
C3	0.000	-1.295	-0.268
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		1.5594	1.5594	1.1064	1.1064	2.2064	2.2064	2.2057	2.2057	2.2057	2.2057
C2	1.5594		2.5901	2.1903	2.1903	1.1034	3.5476	1.1033	1.1033	2.8481	2.8481
C3	1.5594	2.5901		2.1903	2.1903	3.5476	1.1034	2.8481	2.8481	1.1033	1.1033
H4	1.1064	2.1903	2.1903		1.7806	2.5286	2.5286	2.5474	3.1098	3.1098	2.5474
H5	1.1064	2.1903	2.1903	1.7806		2.5286	2.5286	3.1098	2.5474	2.5474	3.1098
H6	2.2064	1.1034	3.5476	2.5286	2.5286		4.3889	1.7880	1.7880	3.8573	3.8573
H7	2.2064	3.5476	1.1034	2.5286	2.5286	4.3889		3.8573	3.8573	1.7880	1.7880
H8	2.2057	1.1033	2.8481	2.5474	3.1098	1.7880	3.8573		1.7868	3.2059	2.6617
H9	2.2057	1.1033	2.8481	3.1098	2.5474	1.7880	3.8573	1.7868		2.6617	3.2059
H10	2.2057	2.8481	1.1033	3.1098	2.5474	3.8573	1.7880	3.2059	2.6617		1.7868
H11	2.2057	2.8481	1.1033	2.5474	3.1098	3.8573	1.7880	2.6617	3.2059	1.7868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.744	C1	C2	H8	110.691
C1	C2	H9	110.691	C1	C3	H7	110.744
C1	C3	H10	110.691	C1	C3	H11	110.691
C2	C1	C3	112.293	C2	C1	H4	109.315
C2	C1	H5	109.315	C3	C1	H4	109.315
C3	C1	H5	109.315	H4	C1	H5	107.154
H6	C2	H8	108.238	H6	C2	H9	108.238
H7	C3	H10	108.238	H7	C3	H11	108.238
H8	C2	H9	108.141	H10	C3	H11	108.141

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP2/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/STO-3G

States and conformations

All results from a given calculation for C₃H₈ (Propane)