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	hartrees
Energy at 0K	-118.915283
Energy at 298.15K	-118.923614
HF Energy	-118.310647
Nuclear repulsion energy	82.601363

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3116	3116
2	A₁	3040	3040
3	A₁	3034	3034
4	A₁	1515	1515
5	A₁	1492	1492
6	A₁	1420	1420
7	A₁	1178	1178
8	A₁	884	884
9	A₁	361	361
10	A₂	3103	3103
11	A₂	1495	1495
12	A₂	1317	1317
13	A₂	903	903
14	A₂	213	213
15	B₁	3114	3114
16	B₁	3072	3072
17	B₁	1513	1513
18	B₁	1215	1215
19	B₁	745	745
20	B₁	267	267
21	B₂	3114	3114
22	B₂	3032	3032
23	B₂	1503	1503
24	B₂	1406	1406
25	B₂	1363	1363
26	B₂	1073	1073
27	B₂	925	925

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.593
C2	0.000	1.267	-0.262
C3	0.000	-1.267	-0.262
H4	0.877	0.000	1.248
H5	-0.877	0.000	1.248
H6	0.000	2.169	0.354
H7	0.000	-2.169	0.354
H8	0.882	1.299	-0.906
H9	-0.882	1.299	-0.906
H10	-0.882	-1.299	-0.906
H11	0.882	-1.299	-0.906

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5287	1.5287	1.0938	1.0938	2.1818	2.1818	2.1714	2.1714	2.1714	2.1714
C2	1.5287		2.5345	2.1569	2.1569	1.0917	3.4907	1.0931	1.0931	2.7896	2.7896
C3	1.5287	2.5345		2.1569	2.1569	3.4907	1.0917	2.7896	2.7896	1.0931	1.0931
H4	1.0938	2.1569	2.1569		1.7531	2.5039	2.5039	2.5152	3.0692	3.0692	2.5152
H5	1.0938	2.1569	2.1569	1.7531		2.5039	2.5039	3.0692	2.5152	2.5152	3.0692
H6	2.1818	1.0917	3.4907	2.5039	2.5039		4.3373	1.7670	1.7670	3.7940	3.7940
H7	2.1818	3.4907	1.0917	2.5039	2.5039	4.3373		3.7940	3.7940	1.7670	1.7670
H8	2.1714	1.0931	2.7896	2.5152	3.0692	1.7670	3.7940		1.7648	3.1414	2.5989
H9	2.1714	1.0931	2.7896	3.0692	2.5152	1.7670	3.7940	1.7648		2.5989	3.1414
H10	2.1714	2.7896	1.0931	3.0692	2.5152	3.7940	1.7670	3.1414	2.5989		1.7648
H11	2.1714	2.7896	1.0931	2.5152	3.0692	3.7940	1.7670	2.5989	3.1414	1.7648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.649	C1	C2	H8	110.739
C1	C2	H9	110.739	C1	C3	H7	111.649
C1	C3	H10	110.739	C1	C3	H11	110.739
C2	C1	C3	111.984	C2	C1	H4	109.545
C2	C1	H5	109.545	C3	C1	H4	109.545
C3	C1	H5	109.545	H4	C1	H5	106.527
H6	C2	H8	107.952	H6	C2	H9	107.952
H7	C3	H10	107.952	H7	C3	H11	107.952
H8	C2	H9	107.658	H10	C3	H11	107.658

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP4/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for C₃H₈ (Propane)