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	hartrees
Energy at 0K	-118.893760
Energy at 298.15K	-118.902153
HF Energy	-118.307772
Nuclear repulsion energy	82.679241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3122	2983	48.16
2	A₁	3051	2915	23.02
3	A₁	3046	2910	21.87
4	A₁	1532	1464	4.07
5	A₁	1510	1443	0.01
6	A₁	1437	1373	2.70
7	A₁	1194	1141	0.73
8	A₁	894	854	0.65
9	A₁	367	350	0.03
10	A₂	3109	2970	0.00
11	A₂	1510	1443	0.00
12	A₂	1333	1273	0.00
13	A₂	916	876	0.00
14	A₂	218	209	0.00
15	B₁	3120	2981	92.83
16	B₁	3077	2940	2.53
17	B₁	1527	1459	11.59
18	B₁	1231	1176	0.06
19	B₁	756	722	2.08
20	B₁	276	264	0.00
21	B₂	3119	2980	28.76
22	B₂	3043	2908	31.87
23	B₂	1517	1449	1.53
24	B₂	1425	1362	4.20
25	B₂	1384	1323	1.69
26	B₂	1084	1036	0.47
27	B₂	940	898	1.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.589
C2	0.000	1.268	-0.261
C3	0.000	-1.268	-0.261
H4	0.875	0.000	1.243
H5	-0.875	0.000	1.243
H6	0.000	2.165	0.360
H7	0.000	-2.165	0.360
H8	0.881	1.305	-0.904
H9	-0.881	1.305	-0.904
H10	-0.881	-1.305	-0.904
H11	0.881	-1.305	-0.904

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5262	1.5262	1.0925	1.0925	2.1766	2.1766	2.1699	2.1699	2.1699	2.1699
C2	1.5262		2.5356	2.1528	2.1528	1.0907	3.4881	1.0918	1.0918	2.7945	2.7945
C3	1.5262	2.5356		2.1528	2.1528	3.4881	1.0907	2.7945	2.7945	1.0918	1.0918
H4	1.0925	2.1528	2.1528		1.7502	2.4961	2.4961	2.5125	3.0655	3.0655	2.5125
H5	1.0925	2.1528	2.1528	1.7502		2.4961	2.4961	3.0655	2.5125	2.5125	3.0655
H6	2.1766	1.0907	3.4881	2.4961	2.4961		4.3291	1.7647	1.7647	3.7962	3.7962
H7	2.1766	3.4881	1.0907	2.4961	2.4961	4.3291		3.7962	3.7962	1.7647	1.7647
H8	2.1699	1.0918	2.7945	2.5125	3.0655	1.7647	3.7962		1.7626	3.1491	2.6096
H9	2.1699	1.0918	2.7945	3.0655	2.5125	1.7647	3.7962	1.7626		2.6096	3.1491
H10	2.1699	2.7945	1.0918	3.0655	2.5125	3.7962	1.7647	3.1491	2.6096		1.7626
H11	2.1699	2.7945	1.0918	2.5125	3.0655	3.7962	1.7647	2.6096	3.1491	1.7626

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.472	C1	C2	H8	110.869
C1	C2	H9	110.869	C1	C3	H7	111.472
C1	C3	H10	110.869	C1	C3	H11	110.869
C2	C1	C3	112.337	C2	C1	H4	109.470
C2	C1	H5	109.470	C3	C1	H4	109.470
C3	C1	H5	109.470	H4	C1	H5	106.452
H6	C2	H8	107.912	H6	C2	H9	107.912
H7	C3	H10	107.912	H7	C3	H11	107.912
H8	C2	H9	107.651	H10	C3	H11	107.651

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: QCISD/cc-pVTZ

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: QCISD/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₈ (Propane)