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	hartrees
Energy at 0K	-118.504697
Energy at 298.15K	-118.513157
HF Energy	-118.215130
Nuclear repulsion energy	81.929469

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3146	2950	60.55
2	A₁	3075	2884	1.84
3	A₁	3065	2875	47.82
4	A₁	1595	1495	4.96
5	A₁	1578	1480	0.05
6	A₁	1511	1417	3.26
7	A₁	1241	1164	1.44
8	A₁	897	841	0.76
9	A₁	384	360	0.10
10	A₂	3134	2940	0.00
11	A₂	1574	1476	0.00
12	A₂	1375	1289	0.00
13	A₂	963	903	0.00
14	A₂	225	211	0.00
15	B₁	3146	2950	114.05
16	B₁	3095	2902	7.10
17	B₁	1588	1489	12.42
18	B₁	1295	1214	0.15
19	B₁	787	738	3.35
20	B₁	277	260	0.00
21	B₂	3143	2947	33.06
22	B₂	3066	2876	36.84
23	B₂	1579	1481	2.70
24	B₂	1492	1400	4.30
25	B₂	1449	1359	2.65
26	B₂	1100	1032	0.88
27	B₂	981	920	2.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.592
C2	0.000	1.285	-0.263
C3	0.000	-1.285	-0.263
H4	0.880	0.000	1.251
H5	-0.880	0.000	1.251
H6	0.000	2.183	0.367
H7	0.000	-2.183	0.367
H8	0.887	1.323	-0.909
H9	-0.887	1.323	-0.909
H10	-0.887	-1.323	-0.909
H11	0.887	-1.323	-0.909

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5431	1.5431	1.0995	1.0995	2.1944	2.1944	2.1884	2.1884	2.1884	2.1884
C2	1.5431		2.5691	2.1717	2.1717	1.0971	3.5241	1.0981	1.0981	2.8289	2.8289
C3	1.5431	2.5691		2.1717	2.1717	3.5241	1.0971	2.8289	2.8289	1.0981	1.0981
H4	1.0995	2.1717	2.1717		1.7608	2.5141	2.5141	2.5323	3.0883	3.0883	2.5323
H5	1.0995	2.1717	2.1717	1.7608		2.5141	2.5141	3.0883	2.5323	2.5323	3.0883
H6	2.1944	1.0971	3.5241	2.5141	2.5141		4.3656	1.7760	1.7760	3.8345	3.8345
H7	2.1944	3.5241	1.0971	2.5141	2.5141	4.3656		3.8345	3.8345	1.7760	1.7760
H8	2.1884	1.0981	2.8289	2.5323	3.0883	1.7760	3.8345		1.7748	3.1857	2.6455
H9	2.1884	1.0981	2.8289	3.0883	2.5323	1.7760	3.8345	1.7748		2.6455	3.1857
H10	2.1884	2.8289	1.0981	3.0883	2.5323	3.8345	1.7760	3.1857	2.6455		1.7748
H11	2.1884	2.8289	1.0981	2.5323	3.0883	3.8345	1.7760	2.6455	3.1857	1.7748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.310	C1	C2	H8	110.779
C1	C2	H9	110.779	C1	C3	H7	111.310
C1	C3	H10	110.779	C1	C3	H11	110.779
C2	C1	C3	112.702	C2	C1	H4	109.385
C2	C1	H5	109.385	C3	C1	H4	109.385
C3	C1	H5	109.385	H4	C1	H5	106.403
H6	C2	H8	108.006	H6	C2	H9	108.006
H7	C3	H10	108.006	H7	C3	H11	108.006
H8	C2	H9	107.827	H10	C3	H11	107.827

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: CISD/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: CISD/6-31G

States and conformations

All results from a given calculation for C₃H₈ (Propane)