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	hartrees
Energy at 0K	-118.822708
Energy at 298.15K	-118.831136
HF Energy	-118.295540
Nuclear repulsion energy	82.614371

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	3169	3006	42.78	84.49	0.64	0.78
2	A₁	3085	2926	30.53	97.59	0.16	0.28
3	A₁	3075	2917	13.87	256.98	0.00	0.00
4	A₁	1533	1454	4.83	4.66	0.75	0.85
5	A₁	1510	1432	0.00	25.34	0.74	0.85
6	A₁	1438	1364	3.57	1.08	0.30	0.46
7	A₁	1198	1137	0.81	1.94	0.33	0.50
8	A₁	905	859	0.84	9.95	0.21	0.35
9	A₁	370	351	0.03	0.33	0.15	0.26
10	A₂	3158	2996	0.00	7.23	0.75	0.86
11	A₂	1510	1432	0.00	22.72	0.75	0.86
12	A₂	1336	1267	0.00	7.22	0.75	0.86
13	A₂	922	875	0.00	0.03	0.75	0.86
14	A₂	224	213	0.00	0.03	0.75	0.86
15	B₁	3168	3005	85.05	28.45	0.75	0.86
16	B₁	3126	2965	2.84	151.48	0.75	0.86
17	B₁	1528	1449	13.82	0.02	0.75	0.86
18	B₁	1235	1171	0.10	0.02	0.75	0.86
19	B₁	764	725	2.30	0.20	0.75	0.86
20	B₁	290	275	0.00	0.00	0.75	0.86
21	B₂	3167	3004	24.54	53.01	0.75	0.86
22	B₂	3074	2916	31.48	2.42	0.75	0.86
23	B₂	1518	1440	1.87	0.26	0.75	0.86
24	B₂	1427	1354	6.04	0.86	0.75	0.86
25	B₂	1382	1311	1.01	0.15	0.75	0.86
26	B₂	1099	1043	0.38	5.98	0.75	0.86
27	B₂	943	895	1.67	0.06	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.591
C2	0.000	1.267	-0.261
C3	0.000	-1.267	-0.261
H4	0.878	0.000	1.246
H5	-0.878	0.000	1.246
H6	0.000	2.168	0.358
H7	0.000	-2.168	0.358
H8	0.884	1.299	-0.905
H9	-0.884	1.299	-0.905
H10	-0.884	-1.299	-0.905
H11	0.884	-1.299	-0.905

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5264	1.5264	1.0954	1.0954	2.1809	2.1809	2.1697	2.1697	2.1697	2.1697
C2	1.5264		2.5340	2.1553	2.1553	1.0934	3.4907	1.0944	1.0944	2.7898	2.7898
C3	1.5264	2.5340		2.1553	2.1553	3.4907	1.0934	2.7898	2.7898	1.0944	1.0944
H4	1.0954	2.1553	2.1553		1.7561	2.5022	2.5022	2.5129	3.0691	3.0691	2.5129
H5	1.0954	2.1553	2.1553	1.7561		2.5022	2.5022	3.0691	2.5129	2.5129	3.0691
H6	2.1809	1.0934	3.4907	2.5022	2.5022		4.3369	1.7699	1.7699	3.7952	3.7952
H7	2.1809	3.4907	1.0934	2.5022	2.5022	4.3369		3.7952	3.7952	1.7699	1.7699
H8	2.1697	1.0944	2.7898	2.5129	3.0691	1.7699	3.7952		1.7678	3.1431	2.5988
H9	2.1697	1.0944	2.7898	3.0691	2.5129	1.7699	3.7952	1.7678		2.5988	3.1431
H10	2.1697	2.7898	1.0944	3.0691	2.5129	3.7952	1.7699	3.1431	2.5988		1.7678
H11	2.1697	2.7898	1.0944	2.5129	3.0691	3.7952	1.7699	2.5988	3.1431	1.7678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.637	C1	C2	H8	110.674
C1	C2	H9	110.674	C1	C3	H7	111.637
C1	C3	H10	110.674	C1	C3	H11	110.674
C2	C1	C3	112.204	C2	C1	H4	109.480
C2	C1	H5	109.480	C3	C1	H4	109.480
C3	C1	H5	109.480	H4	C1	H5	106.554
H6	C2	H8	107.992	H6	C2	H9	107.992
H7	C3	H10	107.992	H7	C3	H11	107.992
H8	C2	H9	107.729	H10	C3	H11	107.729

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)