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	hartrees
Energy at 0K	-118.810789
Energy at 298.15K	-118.819141
HF Energy	-118.275244
Nuclear repulsion energy	81.901444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3108	3031
2	A₁	3025	2950
3	A₁	3019	2945
4	A₁	1494	1457
5	A₁	1473	1437
6	A₁	1402	1367
7	A₁	1168	1139
8	A₁	883	861
9	A₁	362	353
10	A₂	3094	3018
11	A₂	1474	1437
12	A₂	1301	1269
13	A₂	895	873
14	A₂	221	216
15	B₁	3103	3026
16	B₁	3062	2986
17	B₁	1492	1455
18	B₁	1200	1170
19	B₁	739	721
20	B₁	275	268
21	B₂	3105	3028
22	B₂	3018	2943
23	B₂	1478	1442
24	B₂	1390	1356
25	B₂	1347	1313
26	B₂	1074	1047
27	B₂	915	892

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.595
C2	0.000	1.277	-0.263
C3	0.000	-1.277	-0.263
H4	0.887	0.000	1.257
H5	-0.887	0.000	1.257
H6	0.000	2.186	0.364
H7	0.000	-2.186	0.364
H8	0.893	1.313	-0.914
H9	-0.893	1.313	-0.914
H10	-0.893	-1.313	-0.914
H11	0.893	-1.313	-0.914

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5380	1.5380	1.1064	1.1064	2.1980	2.1980	2.1901	2.1901	2.1901	2.1901
C2	1.5380		2.5531	2.1737	2.1737	1.1042	3.5186	1.1055	1.1055	2.8152	2.8152
C3	1.5380	2.5531		2.1737	2.1737	3.5186	1.1042	2.8152	2.8152	1.1055	1.1055
H4	1.1064	2.1737	2.1737		1.7732	2.5222	2.5222	2.5366	3.0986	3.0986	2.5366
H5	1.1064	2.1737	2.1737	1.7732		2.5222	2.5222	3.0986	2.5366	2.5366	3.0986
H6	2.1980	1.1042	3.5186	2.5222	2.5222		4.3716	1.7864	1.7864	3.8300	3.8300
H7	2.1980	3.5186	1.1042	2.5222	2.5222	4.3716		3.8300	3.8300	1.7864	1.7864
H8	2.1901	1.1055	2.8152	2.5366	3.0986	1.7864	3.8300		1.7859	3.1753	2.6255
H9	2.1901	1.1055	2.8152	3.0986	2.5366	1.7864	3.8300	1.7859		2.6255	3.1753
H10	2.1901	2.8152	1.1055	3.0986	2.5366	3.8300	1.7864	3.1753	2.6255		1.7859
H11	2.1901	2.8152	1.1055	2.5366	3.0986	3.8300	1.7864	2.6255	3.1753	1.7859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.527	C1	C2	H8	110.825
C1	C2	H9	110.825	C1	C3	H7	111.527
C1	C3	H10	110.825	C1	C3	H11	110.825
C2	C1	C3	112.195	C2	C1	H4	109.490
C2	C1	H5	109.490	C3	C1	H4	109.490
C3	C1	H5	109.490	H4	C1	H5	106.522
H6	C2	H8	107.883	H6	C2	H9	107.883
H7	C3	H10	107.883	H7	C3	H11	107.883
H8	C2	H9	107.746	H10	C3	H11	107.746

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP4=FULL/aug-cc-pVDZ

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: MP4=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₈ (Propane)