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	hartrees
Energy at 0K	-117.902084
Energy at 298.15K	-117.910555
HF Energy	-117.612672
Nuclear repulsion energy	81.964719

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3155	2949	46.70
2	A₁	3097	2894	7.82
3	A₁	3090	2888	23.69
4	A₁	1616	1510	5.08
5	A₁	1598	1493	0.37
6	A₁	1514	1414	4.34
7	A₁	1239	1158	2.02
8	A₁	869	812	0.83
9	A₁	386	360	0.20
10	A₂	3147	2940	0.00
11	A₂	1599	1494	0.00
12	A₂	1393	1302	0.00
13	A₂	978	914	0.00
14	A₂	233	218	0.00
15	B₁	3162	2954	85.29
16	B₁	3121	2916	0.48
17	B₁	1615	1509	12.92
18	B₁	1292	1207	0.47
19	B₁	788	737	4.58
20	B₁	281	263	0.00
21	B₂	3152	2945	25.15
22	B₂	3086	2883	27.09
23	B₂	1605	1499	2.57
24	B₂	1496	1398	4.50
25	B₂	1440	1346	1.86
26	B₂	1060	990	2.08
27	B₂	983	918	2.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.603
C2	0.000	1.282	-0.267
C3	0.000	-1.282	-0.267
H4	0.882	0.000	1.253
H5	-0.882	0.000	1.253
H6	0.000	2.182	0.356
H7	0.000	-2.182	0.356
H8	0.887	1.305	-0.908
H9	-0.887	1.305	-0.908
H10	-0.887	-1.305	-0.908
H11	0.887	-1.305	-0.908

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5492	1.5492	1.0954	1.0954	2.1956	2.1956	2.1852	2.1852	2.1852	2.1852
C2	1.5492		2.5635	2.1749	2.1749	1.0943	3.5189	1.0949	1.0949	2.8090	2.8090
C3	1.5492	2.5635		2.1749	2.1749	3.5189	1.0943	2.8090	2.8090	1.0949	1.0949
H4	1.0954	2.1749	2.1749		1.7642	2.5183	2.5183	2.5246	3.0827	3.0827	2.5246
H5	1.0954	2.1749	2.1749	1.7642		2.5183	2.5183	3.0827	2.5246	2.5246	3.0827
H6	2.1956	1.0943	3.5189	2.5183	2.5183		4.3633	1.7757	1.7757	3.8135	3.8135
H7	2.1956	3.5189	1.0943	2.5183	2.5183	4.3633		3.8135	3.8135	1.7757	1.7757
H8	2.1852	1.0949	2.8090	2.5246	3.0827	1.7757	3.8135		1.7740	3.1561	2.6103
H9	2.1852	1.0949	2.8090	3.0827	2.5246	1.7757	3.8135	1.7740		2.6103	3.1561
H10	2.1852	2.8090	1.0949	3.0827	2.5246	3.8135	1.7757	3.1561	2.6103		1.7740
H11	2.1852	2.8090	1.0949	2.5246	3.0827	3.8135	1.7757	2.6103	3.1561	1.7740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.143	C1	C2	H8	110.289
C1	C2	H9	110.289	C1	C3	H7	111.143
C1	C3	H10	110.289	C1	C3	H11	110.289
C2	C1	C3	111.653	C2	C1	H4	109.452
C2	C1	H5	109.452	C3	C1	H4	109.452
C3	C1	H5	109.452	H4	C1	H5	107.280
H6	C2	H8	108.409	H6	C2	H9	108.409
H7	C3	H10	108.409	H7	C3	H11	108.409
H8	C2	H9	108.219	H10	C3	H11	108.219

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: CISD/3-21G*

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: CISD/3-21G*

States and conformations

All results from a given calculation for C₃H₈ (Propane)