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	hartrees
Energy at 0K	-118.674413
Energy at 298.15K	-118.682875
HF Energy	-118.263281
Nuclear repulsion energy	82.654724

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	3194	3009	39.93	76.05	0.67	0.80
2	A₁	3105	2926	34.87	39.75	0.36	0.53
3	A₁	3102	2923	4.50	232.39	0.01	0.02
4	A₁	1579	1488	4.37	6.04	0.74	0.85
5	A₁	1558	1468	0.01	40.18	0.75	0.86
6	A₁	1482	1396	3.26	2.19	0.74	0.85
7	A₁	1223	1152	1.18	4.04	0.52	0.68
8	A₁	915	862	1.00	10.13	0.26	0.42
9	A₁	380	358	0.12	0.21	0.07	0.12
10	A₂	3186	3002	0.00	5.52	0.75	0.86
11	A₂	1556	1466	0.00	36.34	0.75	0.86
12	A₂	1361	1282	0.00	12.48	0.75	0.86
13	A₂	942	887	0.00	0.02	0.75	0.86
14	A₂	236	222	0.00	0.00	0.75	0.86
15	B₁	3193	3009	76.54	38.69	0.75	0.86
16	B₁	3148	2966	6.61	123.12	0.75	0.86
17	B₁	1574	1483	12.94	0.14	0.75	0.86
18	B₁	1266	1193	0.17	1.09	0.75	0.86
19	B₁	775	730	3.66	0.18	0.75	0.86
20	B₁	293	276	0.00	0.01	0.75	0.86
21	B₂	3192	3007	22.22	48.46	0.75	0.86
22	B₂	3101	2922	28.22	3.24	0.75	0.86
23	B₂	1563	1473	2.25	0.20	0.75	0.86
24	B₂	1469	1384	5.56	4.76	0.75	0.86
25	B₂	1417	1335	1.49	0.03	0.75	0.86
26	B₂	1111	1047	0.26	6.43	0.75	0.86
27	B₂	962	907	2.83	0.19	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.588
C2	0.000	1.266	-0.260
C3	0.000	-1.266	-0.260
H4	0.877	0.000	1.245
H5	-0.877	0.000	1.245
H6	0.000	2.167	0.361
H7	0.000	-2.167	0.361
H8	0.884	1.303	-0.905
H9	-0.884	1.303	-0.905
H10	-0.884	-1.303	-0.905
H11	0.884	-1.303	-0.905

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5245	1.5245	1.0957	1.0957	2.1785	2.1785	2.1695	2.1695	2.1695	2.1695
C2	1.5245		2.5329	2.1540	2.1540	1.0935	3.4887	1.0942	1.0942	2.7922	2.7922
C3	1.5245	2.5329		2.1540	2.1540	3.4887	1.0935	2.7922	2.7922	1.0942	1.0942
H4	1.0957	2.1540	2.1540		1.7537	2.4991	2.4991	2.5139	3.0690	3.0690	2.5139
H5	1.0957	2.1540	2.1540	1.7537		2.4991	2.4991	3.0690	2.5139	2.5139	3.0690
H6	2.1785	1.0935	3.4887	2.4991	2.4991		4.3331	1.7687	1.7687	3.7970	3.7970
H7	2.1785	3.4887	1.0935	2.4991	2.4991	4.3331		3.7970	3.7970	1.7687	1.7687
H8	2.1695	1.0942	2.7922	2.5139	3.0690	1.7687	3.7970		1.7671	3.1480	2.6053
H9	2.1695	1.0942	2.7922	3.0690	2.5139	1.7687	3.7970	1.7671		2.6053	3.1480
H10	2.1695	2.7922	1.0942	3.0690	2.5139	3.7970	1.7687	3.1480	2.6053		1.7671
H11	2.1695	2.7922	1.0942	2.5139	3.0690	3.7970	1.7687	2.6053	3.1480	1.7671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.571	C1	C2	H8	110.813
C1	C2	H9	110.813	C1	C3	H7	111.571
C1	C3	H10	110.813	C1	C3	H11	110.813
C2	C1	C3	112.351	C2	C1	H4	109.500
C2	C1	H5	109.500	C3	C1	H4	109.500
C3	C1	H5	109.500	H4	C1	H5	106.308
H6	C2	H8	107.895	H6	C2	H9	107.895
H7	C3	H10	107.895	H7	C3	H11	107.895
H8	C2	H9	107.700	H10	C3	H11	107.700

All results from a given calculation for C₃H₈ (Propane)

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

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/6-31G*

States and conformations

All results from a given calculation for C₃H₈ (Propane)