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	hartrees
Energy at 0K	-118.854721
Energy at 298.15K	-118.849204
HF Energy	-118.262653
Nuclear repulsion energy	82.591569

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3252	3252	79.35
2	A₁	3187	3187	1.67
3	A₁	3180	3180	55.40
4	A₁	1649	1649	2.31
5	A₁	1626	1626	0.13
6	A₁	1557	1557	1.73
7	A₁	1277	1277	0.95
8	A₁	927	927	0.52
9	A₁	390	390	0.04
10	A₂	3239	3239	0.00
11	A₂	1625	1625	0.00
12	A₂	1428	1428	0.00
13	A₂	977	977	0.00
14	A₂	235	235	0.00
15	B₁	3254	3254	144.45
16	B₁	3208	3208	4.12
17	B₁	1643	1643	9.38
18	B₁	1321	1321	0.03
19	B₁	801	801	2.04
20	B₁	293	293	0.00
21	B₂	3248	3248	41.60
22	B₂	3177	3177	44.69
23	B₂	1633	1633	0.90
24	B₂	1550	1550	3.42
25	B₂	1490	1490	3.07
26	B₂	1123	1123	0.43
27	B₂	1005	1005	1.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.586
C2	0.000	1.274	-0.260
C3	0.000	-1.274	-0.260
H4	0.872	0.000	1.240
H5	-0.872	0.000	1.240
H6	0.000	2.165	0.365
H7	0.000	-2.165	0.365
H8	0.879	1.320	-0.902
H9	-0.879	1.320	-0.902
H10	-0.879	-1.320	-0.902
H11	0.879	-1.320	-0.902

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5298	1.5298	1.0898	1.0898	2.1768	2.1768	2.1744	2.1744	2.1744	2.1744
C2	1.5298		2.5489	2.1529	2.1529	1.0884	3.4963	1.0892	1.0892	2.8131	2.8131
C3	1.5298	2.5489		2.1529	2.1529	3.4963	1.0884	2.8131	2.8131	1.0892	1.0892
H4	1.0898	2.1529	2.1529		1.7434	2.4930	2.4930	2.5161	3.0651	3.0651	2.5161
H5	1.0898	2.1529	2.1529	1.7434		2.4930	2.4930	3.0651	2.5161	2.5161	3.0651
H6	2.1768	1.0884	3.4963	2.4930	2.4930		4.3310	1.7587	1.7587	3.8110	3.8110
H7	2.1768	3.4963	1.0884	2.4930	2.4930	4.3310		3.8110	3.8110	1.7587	1.7587
H8	2.1744	1.0892	2.8131	2.5161	3.0651	1.7587	3.8110		1.7576	3.1710	2.6393
H9	2.1744	1.0892	2.8131	3.0651	2.5161	1.7587	3.8110	1.7576		2.6393	3.1710
H10	2.1744	2.8131	1.0892	3.0651	2.5161	3.8110	1.7587	3.1710	2.6393		1.7576
H11	2.1744	2.8131	1.0892	2.5161	3.0651	3.8110	1.7587	2.6393	3.1710	1.7576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.370	C1	C2	H8	111.133
C1	C2	H9	111.133	C1	C3	H7	111.370
C1	C3	H10	111.133	C1	C3	H11	111.133
C2	C1	C3	112.837	C2	C1	H4	109.390
C2	C1	H5	109.390	C3	C1	H4	109.390
C3	C1	H5	109.390	H4	C1	H5	106.230
H6	C2	H8	107.727	H6	C2	H9	107.727
H7	C3	H10	107.727	H7	C3	H11	107.727
H8	C2	H9	107.573	H10	C3	H11	107.573

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for C₃H₈ (Propane)