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	hartrees
Energy at 0K	-118.499254
Energy at 298.15K	-118.507707
HF Energy	-118.214795
Nuclear repulsion energy	81.813862

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	3141	2984	54.59	75.66	0.65	0.79
2	A₁	3054	2902	0.87	255.31	0.04	0.07
3	A₁	3053	2901	46.00	28.45	0.21	0.35
4	A₁	1585	1506	4.44	6.60	0.73	0.84
5	A₁	1568	1490	0.01	48.05	0.75	0.86
6	A₁	1495	1421	2.97	2.64	0.70	0.82
7	A₁	1230	1169	1.34	6.15	0.60	0.75
8	A₁	890	846	0.79	11.95	0.25	0.40
9	A₁	380	361	0.12	0.25	0.06	0.12
10	A₂	3132	2975	0.00	4.95	0.75	0.86
11	A₂	1566	1488	0.00	41.94	0.75	0.86
12	A₂	1364	1296	0.00	17.36	0.75	0.86
13	A₂	956	908	0.00	0.07	0.75	0.86
14	A₂	229	218	0.00	0.00	0.75	0.86
15	B₁	3141	2984	103.64	38.21	0.75	0.86
16	B₁	3090	2936	8.04	128.44	0.75	0.86
17	B₁	1579	1501	11.90	0.19	0.75	0.86
18	B₁	1287	1222	0.14	1.24	0.75	0.86
19	B₁	781	742	3.48	0.19	0.75	0.86
20	B₁	280	266	0.00	0.02	0.75	0.86
21	B₂	3138	2981	29.25	50.12	0.75	0.86
22	B₂	3052	2900	34.67	3.89	0.75	0.86
23	B₂	1570	1492	2.66	0.19	0.75	0.86
24	B₂	1476	1403	3.46	4.62	0.75	0.86
25	B₂	1433	1361	3.38	1.53	0.75	0.86
26	B₂	1094	1039	0.89	6.41	0.75	0.86
27	B₂	971	922	2.49	0.65	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.593
C2	0.000	1.286	-0.263
C3	0.000	-1.286	-0.263
H4	0.882	0.000	1.253
H5	-0.882	0.000	1.253
H6	0.000	2.186	0.367
H7	0.000	-2.186	0.367
H8	0.889	1.323	-0.910
H9	-0.889	1.323	-0.910
H10	-0.889	-1.323	-0.910
H11	0.889	-1.323	-0.910

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5452	1.5452	1.1015	1.1015	2.1979	2.1979	2.1906	2.1906	2.1906	2.1906
C2	1.5452		2.5723	2.1750	2.1750	1.0990	3.5292	1.0998	1.0998	2.8310	2.8310
C3	1.5452	2.5723		2.1750	2.1750	3.5292	1.0990	2.8310	2.8310	1.0998	1.0998
H4	1.1015	2.1750	2.1750		1.7646	2.5184	2.5184	2.5348	3.0924	3.0924	2.5348
H5	1.1015	2.1750	2.1750	1.7646		2.5184	2.5184	3.0924	2.5348	2.5348	3.0924
H6	2.1979	1.0990	3.5292	2.5184	2.5184		4.3725	1.7794	1.7794	3.8385	3.8385
H7	2.1979	3.5292	1.0990	2.5184	2.5184	4.3725		3.8385	3.8385	1.7794	1.7794
H8	2.1906	1.0998	2.8310	2.5348	3.0924	1.7794	3.8385		1.7783	3.1877	2.6456
H9	2.1906	1.0998	2.8310	3.0924	2.5348	1.7794	3.8385	1.7783		2.6456	3.1877
H10	2.1906	2.8310	1.0998	3.0924	2.5348	3.8385	1.7794	3.1877	2.6456		1.7783
H11	2.1906	2.8310	1.0998	2.5348	3.0924	3.8385	1.7794	2.6456	3.1877	1.7783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.330	C1	C2	H8	110.699
C1	C2	H9	110.699	C1	C3	H7	111.330
C1	C3	H10	110.699	C1	C3	H11	110.699
C2	C1	C3	112.676	C2	C1	H4	109.381
C2	C1	H5	109.381	C3	C1	H4	109.381
C3	C1	H5	109.381	H4	C1	H5	106.450
H6	C2	H8	108.050	H6	C2	H9	108.050
H7	C3	H10	108.050	H7	C3	H11	108.050
H8	C2	H9	107.886	H10	C3	H11	107.886

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP2=FULL/6-31G

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/6-31G

States and conformations

All results from a given calculation for C₃H₈ (Propane)