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	hartrees
Energy at 0K	-118.860211
Energy at 298.15K	-118.868616
HF Energy	-118.308441
Nuclear repulsion energy	82.836361

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	3154	3005	35.44	81.73	0.58	0.73
2	A₁	3071	2926	32.74	74.08	0.18	0.30
3	A₁	3061	2917	8.97	403.40	0.00	0.00
4	A₁	1530	1458	5.11	1.26	0.75	0.85
5	A₁	1509	1437	0.01	11.02	0.74	0.85
6	A₁	1426	1359	3.06	0.09	0.05	0.09
7	A₁	1189	1133	0.81	3.11	0.13	0.23
8	A₁	897	855	0.78	12.45	0.12	0.21
9	A₁	367	350	0.05	0.49	0.31	0.47
10	A₂	3143	2995	0.00	7.69	0.75	0.86
11	A₂	1509	1438	0.00	8.91	0.75	0.86
12	A₂	1328	1266	0.00	2.01	0.75	0.86
13	A₂	915	872	0.00	0.21	0.75	0.86
14	A₂	224	214	0.00	0.01	0.75	0.86
15	B₁	3152	3003	70.30	22.65	0.75	0.86
16	B₁	3109	2963	2.17	130.57	0.75	0.86
17	B₁	1528	1456	13.47	0.04	0.75	0.86
18	B₁	1222	1165	0.07	0.23	0.75	0.86
19	B₁	755	719	2.56	0.03	0.75	0.86
20	B₁	281	268	0.00	0.02	0.75	0.86
21	B₂	3153	3004	22.89	45.42	0.75	0.86
22	B₂	3061	2917	30.18	1.09	0.75	0.86
23	B₂	1515	1443	2.00	0.07	0.75	0.86
24	B₂	1410	1344	4.30	0.04	0.75	0.86
25	B₂	1372	1307	1.95	0.61	0.75	0.86
26	B₂	1087	1035	0.57	4.82	0.75	0.86
27	B₂	936	892	1.55	0.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.592
C2	0.000	1.262	-0.261
C3	0.000	-1.262	-0.261
H4	0.875	0.000	1.246
H5	-0.875	0.000	1.246
H6	0.000	2.163	0.352
H7	0.000	-2.163	0.352
H8	0.880	1.294	-0.904
H9	-0.880	1.294	-0.904
H10	-0.880	-1.294	-0.904
H11	0.880	-1.294	-0.904

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5236	1.5236	1.0918	1.0918	2.1767	2.1767	2.1650	2.1650	2.1650	2.1650
C2	1.5236		2.5249	2.1514	2.1514	1.0896	3.4802	1.0908	1.0908	2.7788	2.7788
C3	1.5236	2.5249		2.1514	2.1514	3.4802	1.0896	2.7788	2.7788	1.0908	1.0908
H4	1.0918	2.1514	2.1514		1.7491	2.4989	2.4989	2.5090	3.0619	3.0619	2.5090
H5	1.0918	2.1514	2.1514	1.7491		2.4989	2.4989	3.0619	2.5090	2.5090	3.0619
H6	2.1767	1.0896	3.4802	2.4989	2.4989		4.3269	1.7633	1.7633	3.7820	3.7820
H7	2.1767	3.4802	1.0896	2.4989	2.4989	4.3269		3.7820	3.7820	1.7633	1.7633
H8	2.1650	1.0908	2.7788	2.5090	3.0619	1.7633	3.7820		1.7610	3.1296	2.5871
H9	2.1650	1.0908	2.7788	3.0619	2.5090	1.7633	3.7820	1.7610		2.5871	3.1296
H10	2.1650	2.7788	1.0908	3.0619	2.5090	3.7820	1.7633	3.1296	2.5871		1.7610
H11	2.1650	2.7788	1.0908	2.5090	3.0619	3.7820	1.7633	2.5871	3.1296	1.7610

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.738	C1	C2	H8	110.718
C1	C2	H9	110.718	C1	C3	H7	111.738
C1	C3	H10	110.718	C1	C3	H11	110.718
C2	C1	C3	111.909	C2	C1	H4	109.581
C2	C1	H5	109.581	C3	C1	H4	109.581
C3	C1	H5	109.581	H4	C1	H5	106.456
H6	C2	H8	107.937	H6	C2	H9	107.937
H7	C3	H10	107.937	H7	C3	H11	107.937
H8	C2	H9	107.638	H10	C3	H11	107.638

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP2/aug-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/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₈ (Propane)