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	hartrees
Energy at 0K	-118.744742
Energy at 298.15K	-118.753192
HF Energy	-118.276815
Nuclear repulsion energy	82.825458

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	3212	3017	44.33	88.28	0.64	0.78
2	A₁	3120	2931	31.07	116.39	0.13	0.23
3	A₁	3114	2925	18.52	245.22	0.00	0.00
4	A₁	1558	1464	5.31	3.71	0.75	0.86
5	A₁	1539	1445	0.01	20.10	0.71	0.83
6	A₁	1468	1379	3.71	1.33	0.09	0.17
7	A₁	1215	1141	0.58	1.82	0.26	0.41
8	A₁	910	855	0.69	11.89	0.21	0.34
9	A₁	376	354	0.01	0.30	0.20	0.34
10	A₂	3203	3009	0.00	7.01	0.75	0.86
11	A₂	1538	1445	0.00	19.03	0.75	0.86
12	A₂	1347	1265	0.00	6.71	0.75	0.86
13	A₂	932	875	0.00	0.03	0.75	0.86
14	A₂	231	217	0.00	0.01	0.75	0.86
15	B₁	3211	3016	86.09	35.20	0.75	0.86
16	B₁	3167	2974	5.57	133.79	0.75	0.86
17	B₁	1555	1460	15.13	0.01	0.75	0.86
18	B₁	1254	1177	0.00	0.03	0.75	0.86
19	B₁	771	724	1.90	0.16	0.75	0.86
20	B₁	290	272	0.00	0.00	0.75	0.86
21	B₂	3211	3016	25.02	49.26	0.75	0.86
22	B₂	3112	2923	37.78	2.59	0.75	0.86
23	B₂	1544	1450	2.55	0.02	0.75	0.86
24	B₂	1454	1366	5.95	0.58	0.75	0.86
25	B₂	1406	1321	1.48	0.16	0.75	0.86
26	B₂	1106	1038	0.46	7.65	0.75	0.86
27	B₂	955	897	1.50	0.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.588
C2	0.000	1.265	-0.260
C3	0.000	-1.265	-0.260
H4	0.874	0.000	1.242
H5	-0.874	0.000	1.242
H6	0.000	2.162	0.358
H7	0.000	-2.162	0.358
H8	0.880	1.300	-0.902
H9	-0.880	1.300	-0.902
H10	-0.880	-1.300	-0.902
H11	0.880	-1.300	-0.902

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5236	1.5236	1.0915	1.0915	2.1745	2.1745	2.1646	2.1646	2.1646	2.1646
C2	1.5236		2.5309	2.1496	2.1496	1.0890	3.4829	1.0900	1.0900	2.7871	2.7871
C3	1.5236	2.5309		2.1496	2.1496	3.4829	1.0890	2.7871	2.7871	1.0900	1.0900
H4	1.0915	2.1496	2.1496		1.7489	2.4942	2.4942	2.5068	3.0600	3.0600	2.5068
H5	1.0915	2.1496	2.1496	1.7489		2.4942	2.4942	3.0600	2.5068	2.5068	3.0600
H6	2.1745	1.0890	3.4829	2.4942	2.4942		4.3245	1.7622	1.7622	3.7879	3.7879
H7	2.1745	3.4829	1.0890	2.4942	2.4942	4.3245		3.7879	3.7879	1.7622	1.7622
H8	2.1646	1.0900	2.7871	2.5068	3.0600	1.7622	3.7879		1.7608	3.1400	2.5999
H9	2.1646	1.0900	2.7871	3.0600	2.5068	1.7622	3.7879	1.7608		2.5999	3.1400
H10	2.1646	2.7871	1.0900	3.0600	2.5068	3.7879	1.7622	3.1400	2.5999		1.7608
H11	2.1646	2.7871	1.0900	2.5068	3.0600	3.7879	1.7622	2.5999	3.1400	1.7608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.591	C1	C2	H8	110.740
C1	C2	H9	110.740	C1	C3	H7	111.591
C1	C3	H10	110.740	C1	C3	H11	110.740
C2	C1	C3	112.319	C2	C1	H4	109.466
C2	C1	H5	109.466	C3	C1	H4	109.466
C3	C1	H5	109.466	H4	C1	H5	106.486
H6	C2	H8	107.940	H6	C2	H9	107.940
H7	C3	H10	107.940	H7	C3	H11	107.940
H8	C2	H9	107.742	H10	C3	H11	107.742

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: MP2=FULL/6-31+G**

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/6-31+G**

States and conformations

All results from a given calculation for C₃H₈ (Propane)