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	hartrees
Energy at 0K	-118.993899
Energy at 298.15K	-118.988320
HF Energy	-118.263651
Nuclear repulsion energy	82.732154

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	3262	3074	81.46	88.09	0.59	0.74
2	A₁	3201	3016	0.24	289.08	0.04	0.07
3	A₁	3194	3009	57.10	24.84	0.60	0.75
4	A₁	1658	1563	2.13	3.70	0.75	0.86
5	A₁	1636	1541	0.17	42.90	0.75	0.86
6	A₁	1571	1481	1.53	1.51	0.67	0.80
7	A₁	1286	1212	0.90	4.31	0.41	0.58
8	A₁	930	877	0.46	14.49	0.23	0.38
9	A₁	393	370	0.03	0.35	0.09	0.16
10	A₂	3250	3062	0.00	7.19	0.75	0.86
11	A₂	1635	1540	0.00	37.40	0.75	0.86
12	A₂	1436	1353	0.00	12.25	0.75	0.86
13	A₂	985	928	0.00	0.03	0.75	0.86
14	A₂	234	220	0.00	0.00	0.75	0.86
15	B₁	3265	3076	147.63	32.18	0.75	0.86
16	B₁	3217	3031	4.70	167.68	0.75	0.86
17	B₁	1652	1557	9.18	0.13	0.75	0.86
18	B₁	1331	1254	0.02	0.81	0.75	0.86
19	B₁	808	761	1.86	0.17	0.75	0.86
20	B₁	293	276	0.00	0.01	0.75	0.86
21	B₂	3258	3070	43.29	63.03	0.75	0.86
22	B₂	3193	3009	44.82	3.29	0.75	0.86
23	B₂	1642	1547	0.94	0.21	0.75	0.86
24	B₂	1561	1471	2.95	2.34	0.75	0.86
25	B₂	1503	1416	3.70	0.04	0.75	0.86
26	B₂	1128	1063	0.44	9.03	0.75	0.86
27	B₂	1014	955	1.19	0.65	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.588
C2	0.000	1.266	-0.260
C3	0.000	-1.266	-0.260
H4	0.877	0.000	1.245
H5	-0.877	0.000	1.245
H6	0.000	2.167	0.361
H7	0.000	-2.167	0.361
H8	0.884	1.303	-0.905
H9	-0.884	1.303	-0.905
H10	-0.884	-1.303	-0.905
H11	0.884	-1.303	-0.905

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5245	1.5245	1.0957	1.0957	2.1785	2.1785	2.1695	2.1695	2.1695	2.1695
C2	1.5245		2.5329	2.1540	2.1540	1.0935	3.4887	1.0942	1.0942	2.7922	2.7922
C3	1.5245	2.5329		2.1540	2.1540	3.4887	1.0935	2.7922	2.7922	1.0942	1.0942
H4	1.0957	2.1540	2.1540		1.7537	2.4991	2.4991	2.5139	3.0690	3.0690	2.5139
H5	1.0957	2.1540	2.1540	1.7537		2.4991	2.4991	3.0690	2.5139	2.5139	3.0690
H6	2.1785	1.0935	3.4887	2.4991	2.4991		4.3331	1.7687	1.7687	3.7970	3.7970
H7	2.1785	3.4887	1.0935	2.4991	2.4991	4.3331		3.7970	3.7970	1.7687	1.7687
H8	2.1695	1.0942	2.7922	2.5139	3.0690	1.7687	3.7970		1.7671	3.1480	2.6053
H9	2.1695	1.0942	2.7922	3.0690	2.5139	1.7687	3.7970	1.7671		2.6053	3.1480
H10	2.1695	2.7922	1.0942	3.0690	2.5139	3.7970	1.7687	3.1480	2.6053		1.7671
H11	2.1695	2.7922	1.0942	2.5139	3.0690	3.7970	1.7687	2.6053	3.1480	1.7671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.357	C1	C2	H8	111.096
C1	C2	H9	111.096	C1	C3	H7	111.357
C1	C3	H10	111.096	C1	C3	H11	111.096
C2	C1	C3	112.791	C2	C1	H4	109.391
C2	C1	H5	109.391	C3	C1	H4	109.391
C3	C1	H5	109.391	H4	C1	H5	106.274
H6	C2	H8	107.749	H6	C2	H9	107.749
H7	C3	H10	107.749	H7	C3	H11	107.749
H8	C2	H9	107.620	H10	C3	H11	107.620

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: G3

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: G3

States and conformations

All results from a given calculation for C₃H₈ (Propane)