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	hartrees
Energy at 0K	-118.813570
Energy at 298.15K	-118.821979
HF Energy	-118.295277
Nuclear repulsion energy	82.314595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3123	2980	54.69
2	A₁	3050	2910	18.50
3	A₁	3045	2905	29.84
4	A₁	1535	1465	3.52
5	A₁	1513	1443	0.09
6	A₁	1447	1380	2.36
7	A₁	1199	1144	0.64
8	A₁	896	855	0.57
9	A₁	369	352	0.01
10	A₂	3110	2968	0.00
11	A₂	1511	1442	0.00
12	A₂	1336	1275	0.00
13	A₂	922	879	0.00
14	A₂	220	210	0.00
15	B₁	3122	2979	106.08
16	B₁	3079	2938	2.96
17	B₁	1528	1458	11.12
18	B₁	1239	1182	0.04
19	B₁	761	726	1.54
20	B₁	284	271	0.00
21	B₂	3120	2977	30.75
22	B₂	3042	2902	34.17
23	B₂	1520	1450	1.31
24	B₂	1438	1372	4.53
25	B₂	1391	1327	1.78
26	B₂	1088	1039	0.34
27	B₂	944	900	0.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.591
C2	0.000	1.274	-0.261
C3	0.000	-1.274	-0.261
H4	0.880	0.000	1.248
H5	-0.880	0.000	1.248
H6	0.000	2.174	0.363
H7	0.000	-2.174	0.363
H8	0.886	1.309	-0.907
H9	-0.886	1.309	-0.907
H10	-0.886	-1.309	-0.907
H11	0.886	-1.309	-0.907

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5325	1.5325	1.0982	1.0982	2.1862	2.1862	2.1781	2.1781	2.1781	2.1781
C2	1.5325		2.5473	2.1620	2.1620	1.0962	3.5042	1.0973	1.0973	2.8060	2.8060
C3	1.5325	2.5473		2.1620	2.1620	3.5042	1.0962	2.8060	2.8060	1.0973	1.0973
H4	1.0982	2.1620	2.1620		1.7604	2.5069	2.5069	2.5215	3.0787	3.0787	2.5215
H5	1.0982	2.1620	2.1620	1.7604		2.5069	2.5069	3.0787	2.5215	2.5215	3.0787
H6	2.1862	1.0962	3.5042	2.5069	2.5069		4.3488	1.7746	1.7746	3.8125	3.8125
H7	2.1862	3.5042	1.0962	2.5069	2.5069	4.3488		3.8125	3.8125	1.7746	1.7746
H8	2.1781	1.0973	2.8060	2.5215	3.0787	1.7746	3.8125		1.7727	3.1619	2.6183
H9	2.1781	1.0973	2.8060	3.0787	2.5215	1.7746	3.8125	1.7727		2.6183	3.1619
H10	2.1781	2.8060	1.0973	3.0787	2.5215	3.8125	1.7746	3.1619	2.6183		1.7727
H11	2.1781	2.8060	1.0973	2.5215	3.0787	3.8125	1.7746	2.6183	3.1619	1.7727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.462	C1	C2	H8	110.747
C1	C2	H9	110.747	C1	C3	H7	111.462
C1	C3	H10	110.747	C1	C3	H11	110.747
C2	C1	C3	112.421	C2	C1	H4	109.425
C2	C1	H5	109.425	C3	C1	H4	109.425
C3	C1	H5	109.425	H4	C1	H5	106.548
H6	C2	H8	107.997	H6	C2	H9	107.997
H7	C3	H10	107.997	H7	C3	H11	107.997
H8	C2	H9	107.750	H10	C3	H11	107.750

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: QCISD/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: QCISD/6-311G**

States and conformations

All results from a given calculation for C₃H₈ (Propane)