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	hartrees
Energy at 0K	-118.726221
Energy at 298.15K	-118.734647
HF Energy	-118.272017
Nuclear repulsion energy	82.252702

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	3184	3026	37.13	89.51	0.65	0.79
2	A₁	3090	2936	21.97	159.36	0.09	0.17
3	A₁	3082	2929	23.30	188.15	0.00	0.00
4	A₁	1512	1437	3.76	6.24	0.75	0.86
5	A₁	1490	1416	0.01	29.20	0.75	0.86
6	A₁	1419	1349	1.88	0.89	0.62	0.76
7	A₁	1186	1127	0.85	2.09	0.25	0.40
8	A₁	907	862	0.90	10.19	0.21	0.35
9	A₁	368	350	0.07	0.29	0.20	0.33
10	A₂	3175	3017	0.00	6.92	0.75	0.86
11	A₂	1490	1416	0.00	28.25	0.75	0.86
12	A₂	1321	1255	0.00	6.71	0.75	0.86
13	A₂	910	865	0.00	0.06	0.75	0.86
14	A₂	235	223	0.00	0.01	0.75	0.86
15	B₁	3182	3024	74.30	41.48	0.75	0.86
16	B₁	3137	2982	5.88	148.50	0.75	0.86
17	B₁	1508	1433	12.26	0.09	0.75	0.86
18	B₁	1218	1157	0.18	0.18	0.75	0.86
19	B₁	757	719	2.71	0.10	0.75	0.86
20	B₁	293	279	0.00	0.00	0.75	0.86
21	B₂	3183	3025	21.82	55.76	0.75	0.86
22	B₂	3081	2928	32.32	2.78	0.75	0.86
23	B₂	1498	1424	1.49	0.23	0.75	0.86
24	B₂	1412	1342	4.62	1.33	0.75	0.86
25	B₂	1365	1297	2.70	0.19	0.75	0.86
26	B₂	1102	1047	0.24	6.40	0.75	0.86
27	B₂	933	886	1.58	0.07	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.591
C2	0.000	1.270	-0.261
C3	0.000	-1.270	-0.261
H4	0.884	0.000	1.254
H5	-0.884	0.000	1.254
H6	0.000	2.178	0.362
H7	0.000	-2.178	0.362
H8	0.890	1.305	-0.911
H9	-0.890	1.305	-0.911
H10	-0.890	-1.305	-0.911
H11	0.890	-1.305	-0.911

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5291	1.5291	1.1042	1.1042	2.1905	2.1905	2.1802	2.1802	2.1802	2.1802
C2	1.5291		2.5390	2.1648	2.1648	1.1016	3.5037	1.1029	1.1029	2.8006	2.8006
C3	1.5291	2.5390		2.1648	2.1648	3.5037	1.1016	2.8006	2.8006	1.1029	1.1029
H4	1.1042	2.1648	2.1648		1.7672	2.5143	2.5143	2.5279	3.0880	3.0880	2.5279
H5	1.1042	2.1648	2.1648	1.7672		2.5143	2.5143	3.0880	2.5279	2.5279	3.0880
H6	2.1905	1.1016	3.5037	2.5143	2.5143		4.3568	1.7819	1.7819	3.8140	3.8140
H7	2.1905	3.5037	1.1016	2.5143	2.5143	4.3568		3.8140	3.8140	1.7819	1.7819
H8	2.1802	1.1029	2.8006	2.5279	3.0880	1.7819	3.8140		1.7799	3.1592	2.6101
H9	2.1802	1.1029	2.8006	3.0880	2.5279	1.7819	3.8140	1.7799		2.6101	3.1592
H10	2.1802	2.8006	1.1029	3.0880	2.5279	3.8140	1.7819	3.1592	2.6101		1.7799
H11	2.1802	2.8006	1.1029	2.5279	3.0880	3.8140	1.7819	2.6101	3.1592	1.7799

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.716	C1	C2	H8	110.824
C1	C2	H9	110.824	C1	C3	H7	111.716
C1	C3	H10	110.824	C1	C3	H11	110.824
C2	C1	C3	112.250	C2	C1	H4	109.529
C2	C1	H5	109.529	C3	C1	H4	109.529
C3	C1	H5	109.529	H4	C1	H5	106.296
H6	C2	H8	107.862	H6	C2	H9	107.862
H7	C3	H10	107.862	H7	C3	H11	107.862
H8	C2	H9	107.589	H10	C3	H11	107.589

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₈ (Propane)