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	hartrees
Energy at 0K	-118.729102
Energy at 298.15K	-118.737545
HF Energy	-118.276784
Nuclear repulsion energy	82.736964

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	3208	3017	45.02	88.79	0.64	0.78
2	A₁	3117	2932	31.31	115.86	0.13	0.23
3	A₁	3111	2926	18.53	247.08	0.00	0.00
4	A₁	1556	1464	5.13	3.50	0.75	0.86
5	A₁	1537	1446	0.02	20.43	0.71	0.83
6	A₁	1466	1379	3.56	1.33	0.09	0.17
7	A₁	1214	1141	0.55	1.85	0.26	0.41
8	A₁	909	855	0.67	12.04	0.21	0.34
9	A₁	376	353	0.01	0.30	0.20	0.34
10	A₂	3199	3009	0.00	7.04	0.75	0.86
11	A₂	1536	1444	0.00	19.09	0.75	0.86
12	A₂	1344	1264	0.00	6.78	0.75	0.86
13	A₂	930	874	0.00	0.02	0.75	0.86
14	A₂	229	216	0.00	0.01	0.75	0.86
15	B₁	3207	3016	87.39	34.78	0.75	0.86
16	B₁	3162	2974	5.43	135.02	0.75	0.86
17	B₁	1552	1460	14.85	0.01	0.75	0.86
18	B₁	1252	1178	0.00	0.03	0.75	0.86
19	B₁	770	724	1.83	0.16	0.75	0.86
20	B₁	289	272	0.00	0.00	0.75	0.86
21	B₂	3206	3016	25.40	49.59	0.75	0.86
22	B₂	3109	2925	37.98	2.58	0.75	0.86
23	B₂	1541	1450	2.47	0.02	0.75	0.86
24	B₂	1452	1366	5.74	0.57	0.75	0.86
25	B₂	1404	1321	1.60	0.17	0.75	0.86
26	B₂	1104	1039	0.45	7.75	0.75	0.86
27	B₂	953	896	1.44	0.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.589
C2	0.000	1.267	-0.260
C3	0.000	-1.267	-0.260
H4	0.875	0.000	1.243
H5	-0.875	0.000	1.243
H6	0.000	2.165	0.358
H7	0.000	-2.165	0.358
H8	0.881	1.301	-0.903
H9	-0.881	1.301	-0.903
H10	-0.881	-1.301	-0.903
H11	0.881	-1.301	-0.903

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5252	1.5252	1.0926	1.0926	2.1768	2.1768	2.1668	2.1668	2.1668	2.1668
C2	1.5252		2.5338	2.1519	2.1519	1.0902	3.4868	1.0912	1.0912	2.7902	2.7902
C3	1.5252	2.5338		2.1519	2.1519	3.4868	1.0902	2.7902	2.7902	1.0912	1.0912
H4	1.0926	2.1519	2.1519		1.7509	2.4968	2.4968	2.5092	3.0631	3.0631	2.5092
H5	1.0926	2.1519	2.1519	1.7509		2.4968	2.4968	3.0631	2.5092	2.5092	3.0631
H6	2.1768	1.0902	3.4868	2.4968	2.4968		4.3291	1.7642	1.7642	3.7920	3.7920
H7	2.1768	3.4868	1.0902	2.4968	2.4968	4.3291		3.7920	3.7920	1.7642	1.7642
H8	2.1668	1.0912	2.7902	2.5092	3.0631	1.7642	3.7920		1.7628	3.1434	2.6026
H9	2.1668	1.0912	2.7902	3.0631	2.5092	1.7642	3.7920	1.7628		2.6026	3.1434
H10	2.1668	2.7902	1.0912	3.0631	2.5092	3.7920	1.7642	3.1434	2.6026		1.7628
H11	2.1668	2.7902	1.0912	2.5092	3.0631	3.7920	1.7642	2.6026	3.1434	1.7628

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.590	C1	C2	H8	110.732
C1	C2	H9	110.732	C1	C3	H7	111.590
C1	C3	H10	110.732	C1	C3	H11	110.732
C2	C1	C3	112.328	C2	C1	H4	109.461
C2	C1	H5	109.461	C3	C1	H4	109.461
C3	C1	H5	109.461	H4	C1	H5	106.497
H6	C2	H8	107.943	H6	C2	H9	107.943
H7	C3	H10	107.943	H7	C3	H11	107.943
H8	C2	H9	107.753	H10	C3	H11	107.753

All results from a given calculation for C₃H₈ (Propane)

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

States and conformations

All results from a given calculation for C₃H₈ (Propane)