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	hartrees
Energy at 0K	-118.653239
Energy at 298.15K	-118.661714
HF Energy	-118.263468
Nuclear repulsion energy	82.667806

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3214	2969	50.46
2	A₁	3137	2898	0.25
3	A₁	3134	2895	44.45
4	A₁	1599	1477	4.00
5	A₁	1578	1457	0.13
6	A₁	1508	1393	2.97
7	A₁	1241	1147	1.17
8	A₁	923	852	0.82
9	A₁	384	355	0.08
10	A₂	3204	2960	0.00
11	A₂	1575	1454	0.00
12	A₂	1380	1275	0.00
13	A₂	953	880	0.00
14	A₂	232	214	0.00
15	B₁	3214	2969	95.48
16	B₁	3168	2926	6.17
17	B₁	1592	1470	12.28
18	B₁	1285	1187	0.13
19	B₁	783	723	3.05
20	B₁	289	267	0.00
21	B₂	3212	2967	27.74
22	B₂	3131	2893	32.24
23	B₂	1582	1461	1.88
24	B₂	1499	1385	5.58
25	B₂	1445	1334	1.41
26	B₂	1121	1035	0.26
27	B₂	977	902	2.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.586
C2	0.000	1.269	-0.260
C3	0.000	-1.269	-0.260
H4	0.874	0.000	1.243
H5	-0.874	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		1.5255	1.5255	1.0932	1.0932	2.1763	2.1763	2.1702	2.1702	2.1702	2.1702
C2	1.5255		2.5383	2.1524	2.1524	1.0912	3.4901	1.0920	1.0920	2.7997	2.7997
C3	1.5255	2.5383		2.1524	2.1524	3.4901	1.0912	2.7997	2.7997	1.0920	1.0920
H4	1.0932	2.1524	2.1524		1.7489	2.4948	2.4948	2.5135	3.0662	3.0662	2.5135
H5	1.0932	2.1524	2.1524	1.7489		2.4948	2.4948	3.0662	2.5135	2.5135	3.0662
H6	2.1763	1.0912	3.4901	2.4948	2.4948		4.3297	1.7646	1.7646	3.8012	3.8012
H7	2.1763	3.4901	1.0912	2.4948	2.4948	4.3297		3.8012	3.8012	1.7646	1.7646
H8	2.1702	1.0920	2.7997	2.5135	3.0662	1.7646	3.8012		1.7631	3.1564	2.6181
H9	2.1702	1.0920	2.7997	3.0662	2.5135	1.7646	3.8012	1.7631		2.6181	3.1564
H10	2.1702	2.7997	1.0920	3.0662	2.5135	3.8012	1.7646	3.1564	2.6181		1.7631
H11	2.1702	2.7997	1.0920	2.5135	3.0662	3.8012	1.7646	2.6181	3.1564	1.7631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.471	C1	C2	H8	110.930
C1	C2	H9	110.930	C1	C3	H7	111.471
C1	C3	H10	110.930	C1	C3	H11	110.930
C2	C1	C3	112.606	C2	C1	H4	109.449
C2	C1	H5	109.449	C3	C1	H4	109.449
C3	C1	H5	109.449	H4	C1	H5	106.237
H6	C2	H8	107.847	H6	C2	H9	107.847
H7	C3	H10	107.847	H7	C3	H11	107.847
H8	C2	H9	107.656	H10	C3	H11	107.656

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: CID/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: CID/6-31G*

States and conformations

All results from a given calculation for C₃H₈ (Propane)