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	hartrees
Energy at 0K	-118.821489
Energy at 298.15K	-118.829936
HF Energy	-118.311007
Nuclear repulsion energy	83.058603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3201	3201	49.19
2	A₁	3129	3129	19.28
3	A₁	3124	3124	25.52
4	A₁	1570	1570	4.77
5	A₁	1548	1548	0.01
6	A₁	1479	1479	2.99
7	A₁	1225	1225	0.88
8	A₁	914	914	0.64
9	A₁	375	375	0.03
10	A₂	3188	3188	0.00
11	A₂	1548	1548	0.00
12	A₂	1368	1368	0.00
13	A₂	939	939	0.00
14	A₂	223	223	0.00
15	B₁	3200	3200	93.83
16	B₁	3156	3156	2.31
17	B₁	1565	1565	12.78
18	B₁	1264	1264	0.06
19	B₁	774	774	2.28
20	B₁	282	282	0.00
21	B₂	3198	3198	29.17
22	B₂	3121	3121	32.30
23	B₂	1555	1555	1.64
24	B₂	1469	1469	4.76
25	B₂	1423	1423	1.51
26	B₂	1108	1108	0.46
27	B₂	964	964	1.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.586
C2	0.000	1.264	-0.259
C3	0.000	-1.264	-0.259
H4	0.869	0.000	1.237
H5	-0.869	0.000	1.237
H6	0.000	2.156	0.357
H7	0.000	-2.156	0.357
H8	0.876	1.301	-0.899
H9	-0.876	1.301	-0.899
H10	-0.876	-1.301	-0.899
H11	0.876	-1.301	-0.899

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5205	1.5205	1.0861	1.0861	2.1677	2.1677	2.1603	2.1603	2.1603	2.1603
C2	1.5205		2.5271	2.1430	2.1430	1.0842	3.4742	1.0854	1.0854	2.7845	2.7845
C3	1.5205	2.5271		2.1430	2.1430	3.4742	1.0842	2.7845	2.7845	1.0854	1.0854
H4	1.0861	2.1430	2.1430		1.7390	2.4854	2.4854	2.5014	3.0502	3.0502	2.5014
H5	1.0861	2.1430	2.1430	1.7390		2.4854	2.4854	3.0502	2.5014	2.5014	3.0502
H6	2.1677	1.0842	3.4742	2.4854	2.4854		4.3111	1.7537	1.7537	3.7806	3.7806
H7	2.1677	3.4742	1.0842	2.4854	2.4854	4.3111		3.7806	3.7806	1.7537	1.7537
H8	2.1603	1.0854	2.7845	2.5014	3.0502	1.7537	3.7806		1.7521	3.1368	2.6019
H9	2.1603	1.0854	2.7845	3.0502	2.5014	1.7537	3.7806	1.7521		2.6019	3.1368
H10	2.1603	2.7845	1.0854	3.0502	2.5014	3.7806	1.7537	3.1368	2.6019		1.7521
H11	2.1603	2.7845	1.0854	2.5014	3.0502	3.7806	1.7537	2.6019	3.1368	1.7521

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.559	C1	C2	H8	110.886
C1	C2	H9	110.886	C1	C3	H7	111.559
C1	C3	H10	110.886	C1	C3	H11	110.886
C2	C1	C3	112.407	C2	C1	H4	109.473
C2	C1	H5	109.473	C3	C1	H4	109.473
C3	C1	H5	109.473	H4	C1	H5	106.360
H6	C2	H8	107.861	H6	C2	H9	107.861
H7	C3	H10	107.861	H7	C3	H11	107.861
H8	C2	H9	107.626	H10	C3	H11	107.626

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: CISD/Def2TZVPP

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: CISD/Def2TZVPP

States and conformations

All results from a given calculation for C₃H₈ (Propane)