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	hartrees
Energy at 0K	-118.693844
Energy at 298.15K	-118.702310
HF Energy	-118.284275
Nuclear repulsion energy	82.661920

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3188	2962	58.51
2	A₁	3117	2896	13.71
3	A₁	3111	2891	36.44
4	A₁	1580	1468	7.12
5	A₁	1560	1449	0.15
6	A₁	1492	1386	4.90
7	A₁	1229	1142	1.35
8	A₁	915	850	0.93
9	A₁	382	355	0.04
10	A₂	3177	2952	0.00
11	A₂	1556	1446	0.00
12	A₂	1372	1275	0.00
13	A₂	945	878	0.00
14	A₂	227	211	0.00
15	B₁	3189	2963	111.09
16	B₁	3146	2923	3.00
17	B₁	1576	1464	16.90
18	B₁	1271	1181	0.15
19	B₁	773	718	3.13
20	B₁	288	267	0.01
21	B₂	3186	2960	31.11
22	B₂	3107	2887	36.40
23	B₂	1563	1452	2.66
24	B₂	1481	1376	7.87
25	B₂	1429	1328	0.54
26	B₂	1111	1032	0.51
27	B₂	966	898	2.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.587
C2	0.000	1.270	-0.260
C3	0.000	-1.270	-0.260
H4	0.874	0.000	1.242
H5	-0.874	0.000	1.242
H6	0.000	2.165	0.362
H7	0.000	-2.165	0.362
H8	0.880	1.312	-0.903
H9	-0.880	1.312	-0.903
H10	-0.880	-1.312	-0.903
H11	0.880	-1.312	-0.903

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5263	1.5263	1.0923	1.0923	2.1771	2.1771	2.1714	2.1714	2.1714	2.1714
C2	1.5263		2.5400	2.1523	2.1523	1.0901	3.4913	1.0911	1.0911	2.8027	2.8027
C3	1.5263	2.5400		2.1523	2.1523	3.4913	1.0901	2.8027	2.8027	1.0911	1.0911
H4	1.0923	2.1523	2.1523		1.7476	2.4955	2.4955	2.5144	3.0659	3.0659	2.5144
H5	1.0923	2.1523	2.1523	1.7476		2.4955	2.4955	3.0659	2.5144	2.5144	3.0659
H6	2.1771	1.0901	3.4913	2.4955	2.4955		4.3309	1.7617	1.7617	3.8036	3.8036
H7	2.1771	3.4913	1.0901	2.4955	2.4955	4.3309		3.8036	3.8036	1.7617	1.7617
H8	2.1714	1.0911	2.8027	2.5144	3.0659	1.7617	3.8036		1.7608	3.1599	2.6239
H9	2.1714	1.0911	2.8027	3.0659	2.5144	1.7617	3.8036	1.7608		2.6239	3.1599
H10	2.1714	2.8027	1.0911	3.0659	2.5144	3.8036	1.7617	3.1599	2.6239		1.7608
H11	2.1714	2.8027	1.0911	2.5144	3.0659	3.8036	1.7617	2.6239	3.1599	1.7608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.542	C1	C2	H8	111.032
C1	C2	H9	111.032	C1	C3	H7	111.542
C1	C3	H10	111.032	C1	C3	H11	111.032
C2	C1	C3	112.631	C2	C1	H4	109.439
C2	C1	H5	109.439	C3	C1	H4	109.439
C3	C1	H5	109.439	H4	C1	H5	106.253
H6	C2	H8	107.735	H6	C2	H9	107.735
H7	C3	H10	107.735	H7	C3	H11	107.735
H8	C2	H9	107.588	H10	C3	H11	107.588

All results from a given calculation for C₃H₈ (Propane)

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

States and conformations

All results from a given calculation for C₃H₈ (Propane)