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	hartrees
Energy at 0K	-118.779840
Energy at 298.15K	-118.788226
HF Energy	-118.271406
Nuclear repulsion energy	81.897830

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3134	3031
2	A₁	3047	2946
3	A₁	3041	2941
4	A₁	1503	1453
5	A₁	1480	1431
6	A₁	1415	1368
7	A₁	1177	1138
8	A₁	893	863
9	A₁	364	352
10	A₂	3123	3019
11	A₂	1481	1432
12	A₂	1311	1268
13	A₂	902	872
14	A₂	229	222
15	B₁	3131	3027
16	B₁	3085	2983
17	B₁	1498	1449
18	B₁	1212	1172
19	B₁	747	723
20	B₁	285	275
21	B₂	3132	3028
22	B₂	3040	2940
23	B₂	1489	1440
24	B₂	1408	1362
25	B₂	1359	1314
26	B₂	1086	1050
27	B₂	924	894

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.592
C2	0.000	1.276	-0.262
C3	0.000	-1.276	-0.262
H4	0.887	0.000	1.257
H5	-0.887	0.000	1.257
H6	0.000	2.187	0.366
H7	0.000	-2.187	0.366
H8	0.894	1.314	-0.915
H9	-0.894	1.314	-0.915
H10	-0.894	-1.314	-0.915
H11	0.894	-1.314	-0.915

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5357	1.5357	1.1087	1.1087	2.1982	2.1982	2.1898	2.1898	2.1898	2.1898
C2	1.5357		2.5523	2.1733	2.1733	1.1060	3.5192	1.1074	1.1074	2.8162	2.8162
C3	1.5357	2.5523		2.1733	2.1733	3.5192	1.1060	2.8162	2.8162	1.1074	1.1074
H4	1.1087	2.1733	2.1733		1.7743	2.5223	2.5223	2.5383	3.1007	3.1007	2.5383
H5	1.1087	2.1733	2.1733	1.7743		2.5223	2.5223	3.1007	2.5383	2.5383	3.1007
H6	2.1982	1.1060	3.5192	2.5223	2.5223		4.3730	1.7893	1.7893	3.8327	3.8327
H7	2.1982	3.5192	1.1060	2.5223	2.5223	4.3730		3.8327	3.8327	1.7893	1.7893
H8	2.1898	1.1074	2.8162	2.5383	3.1007	1.7893	3.8327		1.7874	3.1774	2.6270
H9	2.1898	1.1074	2.8162	3.1007	2.5383	1.7893	3.8327	1.7874		2.6270	3.1774
H10	2.1898	2.8162	1.1074	3.1007	2.5383	3.8327	1.7893	3.1774	2.6270		1.7874
H11	2.1898	2.8162	1.1074	2.5383	3.1007	3.8327	1.7893	2.6270	3.1774	1.7874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.599	C1	C2	H8	110.853
C1	C2	H9	110.853	C1	C3	H7	111.599
C1	C3	H10	110.853	C1	C3	H11	110.853
C2	C1	C3	112.406	C2	C1	H4	109.487
C2	C1	H5	109.487	C3	C1	H4	109.487
C3	C1	H5	109.487	H4	C1	H5	106.301
H6	C2	H8	107.880	H6	C2	H9	107.880
H7	C3	H10	107.880	H7	C3	H11	107.880
H8	C2	H9	107.613	H10	C3	H11	107.613

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP4/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/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₈ (Propane)