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	hartrees
Energy at 0K	-118.761758
Energy at 298.15K	-118.770194
HF Energy	-118.284088
Nuclear repulsion energy	82.629384

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	3167	2999	45.02	84.80	0.65	0.79
2	A₁	3084	2921	31.72	96.54	0.17	0.29
3	A₁	3075	2913	13.88	240.82	0.00	0.00
4	A₁	1553	1471	8.48	3.66	0.74	0.85
5	A₁	1533	1452	0.00	28.52	0.74	0.85
6	A₁	1458	1381	6.08	1.39	0.27	0.42
7	A₁	1206	1142	1.39	2.11	0.39	0.56
8	A₁	906	858	1.21	9.63	0.23	0.37
9	A₁	377	357	0.07	0.37	0.14	0.25
10	A₂	3158	2991	0.00	7.65	0.75	0.86
11	A₂	1531	1450	0.00	24.43	0.75	0.86
12	A₂	1346	1275	0.00	8.02	0.75	0.86
13	A₂	929	880	0.00	0.01	0.75	0.86
14	A₂	227	215	0.00	0.03	0.75	0.86
15	B₁	3167	3000	87.85	31.33	0.75	0.86
16	B₁	3125	2959	3.17	154.95	0.75	0.86
17	B₁	1552	1470	19.18	0.01	0.75	0.86
18	B₁	1246	1180	0.20	0.04	0.75	0.86
19	B₁	762	721	3.82	0.25	0.75	0.86
20	B₁	290	274	0.00	0.00	0.75	0.86
21	B₂	3165	2998	24.48	54.61	0.75	0.86
22	B₂	3074	2911	33.06	2.76	0.75	0.86
23	B₂	1537	1456	3.48	0.29	0.75	0.86
24	B₂	1444	1367	9.17	1.40	0.75	0.86
25	B₂	1394	1320	0.47	0.01	0.75	0.86
26	B₂	1101	1042	0.56	6.23	0.75	0.86
27	B₂	947	897	2.90	0.08	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.589
C2	0.000	1.268	-0.260
C3	0.000	-1.268	-0.260
H4	0.877	0.000	1.245
H5	-0.877	0.000	1.245
H6	0.000	2.168	0.359
H7	0.000	-2.168	0.359
H8	0.883	1.305	-0.905
H9	-0.883	1.305	-0.905
H10	-0.883	-1.305	-0.905
H11	0.883	-1.305	-0.905

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5259	1.5259	1.0950	1.0950	2.1798	2.1798	2.1710	2.1710	2.1710	2.1710
C2	1.5259		2.5350	2.1545	2.1545	1.0927	3.4906	1.0935	1.0935	2.7948	2.7948
C3	1.5259	2.5350		2.1545	2.1545	3.4906	1.0927	2.7948	2.7948	1.0935	1.0935
H4	1.0950	2.1545	2.1545		1.7534	2.5005	2.5005	2.5148	3.0692	3.0692	2.5148
H5	1.0950	2.1545	2.1545	1.7534		2.5005	2.5005	3.0692	2.5148	2.5148	3.0692
H6	2.1798	1.0927	3.4906	2.5005	2.5005		4.3353	1.7665	1.7665	3.7992	3.7992
H7	2.1798	3.4906	1.0927	2.5005	2.5005	4.3353		3.7992	3.7992	1.7665	1.7665
H8	2.1710	1.0935	2.7948	2.5148	3.0692	1.7665	3.7992		1.7655	3.1507	2.6096
H9	2.1710	1.0935	2.7948	3.0692	2.5148	1.7665	3.7992	1.7655		2.6096	3.1507
H10	2.1710	2.7948	1.0935	3.0692	2.5148	3.7992	1.7665	3.1507	2.6096		1.7655
H11	2.1710	2.7948	1.0935	2.5148	3.0692	3.7992	1.7665	2.6096	3.1507	1.7655

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.636	C1	C2	H8	110.878
C1	C2	H9	110.878	C1	C3	H7	111.636
C1	C3	H10	110.878	C1	C3	H11	110.878
C2	C1	C3	112.336	C2	C1	H4	109.485
C2	C1	H5	109.485	C3	C1	H4	109.485
C3	C1	H5	109.485	H4	C1	H5	106.389
H6	C2	H8	107.813	H6	C2	H9	107.813
H7	C3	H10	107.813	H7	C3	H11	107.813
H8	C2	H9	107.659	H10	C3	H11	107.659

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

All results from a given calculation for C₃H₈ (Propane)