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	hartrees
Energy at 0K	-118.655208
Energy at 298.15K	-118.663682
HF Energy	-118.263450
Nuclear repulsion energy	82.648017

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3207	2969	52.45
2	A₁	3132	2900	0.06
3	A₁	3128	2896	45.86
4	A₁	1597	1479	3.78
5	A₁	1577	1460	0.12
6	A₁	1507	1395	2.82
7	A₁	1240	1148	1.12
8	A₁	921	853	0.79
9	A₁	384	355	0.08
10	A₂	3197	2960	0.00
11	A₂	1573	1457	0.00
12	A₂	1379	1277	0.00
13	A₂	952	881	0.00
14	A₂	232	215	0.00
15	B₁	3207	2969	99.04
16	B₁	3161	2926	6.41
17	B₁	1591	1473	11.95
18	B₁	1283	1188	0.12
19	B₁	782	724	2.94
20	B₁	289	268	0.00
21	B₂	3205	2967	28.91
22	B₂	3126	2894	33.07
23	B₂	1580	1463	1.81
24	B₂	1498	1386	5.30
25	B₂	1443	1336	1.59
26	B₂	1119	1036	0.27
27	B₂	976	903	2.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.587
C2	0.000	1.269	-0.260
C3	0.000	-1.269	-0.260
H4	0.875	0.000	1.243
H5	-0.875	0.000	1.243
H6	0.000	2.165	0.363
H7	0.000	-2.165	0.363
H8	0.882	1.309	-0.903
H9	-0.882	1.309	-0.903
H10	-0.882	-1.309	-0.903
H11	0.882	-1.309	-0.903

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5258	1.5258	1.0936	1.0936	2.1769	2.1769	2.1707	2.1707	2.1707	2.1707
C2	1.5258		2.5387	2.1530	2.1530	1.0915	3.4909	1.0924	1.0924	2.8001	2.8001
C3	1.5258	2.5387		2.1530	2.1530	3.4909	1.0915	2.8001	2.8001	1.0924	1.0924
H4	1.0936	2.1530	2.1530		1.7495	2.4956	2.4956	2.5142	3.0670	3.0670	2.5142
H5	1.0936	2.1530	2.1530	1.7495		2.4956	2.4956	3.0670	2.5142	2.5142	3.0670
H6	2.1769	1.0915	3.4909	2.4956	2.4956		4.3309	1.7650	1.7650	3.8020	3.8020
H7	2.1769	3.4909	1.0915	2.4956	2.4956	4.3309		3.8020	3.8020	1.7650	1.7650
H8	2.1707	1.0924	2.8001	2.5142	3.0670	1.7650	3.8020		1.7635	3.1569	2.6184
H9	2.1707	1.0924	2.8001	3.0670	2.5142	1.7650	3.8020	1.7635		2.6184	3.1569
H10	2.1707	2.8001	1.0924	3.0670	2.5142	3.8020	1.7650	3.1569	2.6184		1.7635
H11	2.1707	2.8001	1.0924	2.5142	3.0670	3.8020	1.7650	2.6184	3.1569	1.7635

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.479	C1	C2	H8	110.931
C1	C2	H9	110.931	C1	C3	H7	111.479
C1	C3	H10	110.931	C1	C3	H11	110.931
C2	C1	C3	112.593	C2	C1	H4	109.452
C2	C1	H5	109.452	C3	C1	H4	109.452
C3	C1	H5	109.452	H4	C1	H5	106.241
H6	C2	H8	107.843	H6	C2	H9	107.843
H7	C3	H10	107.843	H7	C3	H11	107.843
H8	C2	H9	107.652	H10	C3	H11	107.652

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)