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	hartrees
Energy at 0K	-118.947746
Energy at 298.15K	-118.956160
HF Energy	-118.304843
Nuclear repulsion energy	82.867933

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3160	3160	42.33
2	A₁	3082	3082	29.71
3	A₁	3079	3079	13.63
4	A₁	1542	1542	5.72
5	A₁	1520	1520	0.00
6	A₁	1446	1446	2.99
7	A₁	1197	1197	0.91
8	A₁	902	902	0.73
9	A₁	371	371	0.05
10	A₂	3147	3147	0.00
11	A₂	1519	1519	0.00
12	A₂	1338	1338	0.00
13	A₂	921	921	0.00
14	A₂	224	224	0.00
15	B₁	3157	3157	82.48
16	B₁	3113	3113	2.66
17	B₁	1536	1536	13.65
18	B₁	1233	1233	0.08
19	B₁	758	758	2.41
20	B₁	280	280	0.00
21	B₂	3158	3158	26.53
22	B₂	3076	3076	30.19
23	B₂	1526	1526	2.00
24	B₂	1434	1434	5.26
25	B₂	1392	1392	1.30
26	B₂	1094	1094	0.52
27	B₂	943	943	1.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.589
C2	0.000	1.265	-0.260
C3	0.000	-1.265	-0.260
H4	0.872	0.000	1.242
H5	-0.872	0.000	1.242
H6	0.000	2.161	0.356
H7	0.000	-2.161	0.356
H8	0.879	1.301	-0.902
H9	-0.879	1.301	-0.902
H10	-0.879	-1.301	-0.902
H11	0.879	-1.301	-0.902

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5231	1.5231	1.0901	1.0901	2.1738	2.1738	2.1653	2.1653	2.1653	2.1653
C2	1.5231		2.5290	2.1489	2.1489	1.0878	3.4807	1.0892	1.0892	2.7867	2.7867
C3	1.5231	2.5290		2.1489	2.1489	3.4807	1.0878	2.7867	2.7867	1.0892	1.0892
H4	1.0901	2.1489	2.1489		1.7450	2.4937	2.4937	2.5085	3.0594	3.0594	2.5085
H5	1.0901	2.1489	2.1489	1.7450		2.4937	2.4937	3.0594	2.5085	2.5085	3.0594
H6	2.1738	1.0878	3.4807	2.4937	2.4937		4.3226	1.7595	1.7595	3.7870	3.7870
H7	2.1738	3.4807	1.0878	2.4937	2.4937	4.3226		3.7870	3.7870	1.7595	1.7595
H8	2.1653	1.0892	2.7867	2.5085	3.0594	1.7595	3.7870		1.7578	3.1397	2.6015
H9	2.1653	1.0892	2.7867	3.0594	2.5085	1.7595	3.7870	1.7578		2.6015	3.1397
H10	2.1653	2.7867	1.0892	3.0594	2.5085	3.7870	1.7595	3.1397	2.6015		1.7578
H11	2.1653	2.7867	1.0892	2.5085	3.0594	3.7870	1.7595	2.6015	3.1397	1.7578

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.649	C1	C2	H8	110.876
C1	C2	H9	110.876	C1	C3	H7	111.649
C1	C3	H10	110.876	C1	C3	H11	110.876
C2	C1	C3	112.248	C2	C1	H4	109.522
C2	C1	H5	109.522	C3	C1	H4	109.522
C3	C1	H5	109.522	H4	C1	H5	106.329
H6	C2	H8	107.842	H6	C2	H9	107.842
H7	C3	H10	107.842	H7	C3	H11	107.842
H8	C2	H9	107.590	H10	C3	H11	107.590

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP3=FULL/6-311+G(3df,2p)

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: MP3=FULL/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₃H₈ (Propane)