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	hartrees
Energy at 0K	-118.900187
Energy at 298.15K	-118.908638
HF Energy	-118.307882
Nuclear repulsion energy	83.182302

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3166	3006	35.68	83.02	0.55	0.71
2	A₁	3096	2940	32.33	57.45	0.26	0.42
3	A₁	3087	2931	8.03	335.32	0.00	0.01
4	A₁	1540	1462	5.02	2.57	0.75	0.86
5	A₁	1518	1441	0.02	18.38	0.75	0.86
6	A₁	1431	1359	3.87	0.35	0.11	0.20
7	A₁	1196	1136	0.81	2.07	0.14	0.25
8	A₁	906	860	0.90	10.57	0.16	0.28
9	A₁	370	351	0.05	0.32	0.25	0.40
10	A₂	3153	2994	0.00	7.00	0.75	0.86
11	A₂	1518	1442	0.00	15.21	0.75	0.86
12	A₂	1338	1270	0.00	3.89	0.75	0.86
13	A₂	921	875	0.00	0.10	0.75	0.86
14	A₂	236	224	0.00	0.02	0.75	0.86
15	B₁	3162	3002	70.09	25.92	0.75	0.86
16	B₁	3119	2961	2.47	138.02	0.75	0.86
17	B₁	1536	1459	13.88	0.00	0.75	0.86
18	B₁	1229	1167	0.10	0.02	0.75	0.86
19	B₁	763	724	2.79	0.11	0.75	0.86
20	B₁	293	278	0.00	0.01	0.75	0.86
21	B₂	3164	3004	23.20	48.61	0.75	0.86
22	B₂	3087	2931	27.54	1.19	0.75	0.86
23	B₂	1524	1447	2.12	0.20	0.75	0.86
24	B₂	1419	1347	5.41	0.10	0.75	0.86
25	B₂	1380	1311	0.97	0.24	0.75	0.86
26	B₂	1099	1043	0.52	5.09	0.75	0.86
27	B₂	943	895	1.82	0.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.589
C2	0.000	1.258	-0.259
C3	0.000	-1.258	-0.259
H4	0.871	0.000	1.239
H5	-0.871	0.000	1.239
H6	0.000	2.155	0.351
H7	0.000	-2.155	0.351
H8	0.877	1.288	-0.900
H9	-0.877	1.288	-0.900
H10	-0.877	-1.288	-0.900
H11	0.877	-1.288	-0.900

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5171	1.5171	1.0869	1.0869	2.1682	2.1682	2.1553	2.1553	2.1553	2.1553
C2	1.5171		2.5156	2.1415	2.1415	1.0852	3.4671	1.0865	1.0865	2.7678	2.7678
C3	1.5171	2.5156		2.1415	2.1415	3.4671	1.0852	2.7678	2.7678	1.0865	1.0865
H4	1.0869	2.1415	2.1415		1.7417	2.4884	2.4884	2.4972	3.0481	3.0481	2.4972
H5	1.0869	2.1415	2.1415	1.7417		2.4884	2.4884	3.0481	2.4972	2.4972	3.0481
H6	2.1682	1.0852	3.4671	2.4884	2.4884		4.3103	1.7567	1.7567	3.7669	3.7669
H7	2.1682	3.4671	1.0852	2.4884	2.4884	4.3103		3.7669	3.7669	1.7567	1.7567
H8	2.1553	1.0865	2.7678	2.4972	3.0481	1.7567	3.7669		1.7538	3.1164	2.5761
H9	2.1553	1.0865	2.7678	3.0481	2.4972	1.7567	3.7669	1.7538		2.5761	3.1164
H10	2.1553	2.7678	1.0865	3.0481	2.4972	3.7669	1.7567	3.1164	2.5761		1.7538
H11	2.1553	2.7678	1.0865	2.4972	3.0481	3.7669	1.7567	2.5761	3.1164	1.7538

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.785	C1	C2	H8	110.661
C1	C2	H9	110.661	C1	C3	H7	111.785
C1	C3	H10	110.661	C1	C3	H11	110.661
C2	C1	C3	112.012	C2	C1	H4	109.545
C2	C1	H5	109.545	C3	C1	H4	109.545
C3	C1	H5	109.545	H4	C1	H5	106.493
H6	C2	H8	107.980	H6	C2	H9	107.980
H7	C3	H10	107.980	H7	C3	H11	107.980
H8	C2	H9	107.621	H10	C3	H11	107.621

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP2=FULL/cc-pVTZ

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: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₈ (Propane)