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	hartrees
Energy at 0K	-118.964227
Energy at 298.15K	-118.972640
HF Energy	-118.307884
Nuclear repulsion energy	82.902550

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3113	2982
2	A₁	3054	2926
3	A₁	3049	2921
4	A₁	1532	1468
5	A₁	1509	1446
6	A₁	1430	1370
7	A₁	1190	1140
8	A₁	893	856
9	A₁	366	350
10	A₂	3097	2967
11	A₂	1510	1446
12	A₂	1331	1275
13	A₂	916	877
14	A₂	231	221
15	B₁	3108	2977
16	B₁	3064	2935
17	B₁	1527	1463
18	B₁	1226	1174
19	B₁	755	723
20	B₁	282	270
21	B₂	3110	2979
22	B₂	3047	2919
23	B₂	1516	1452
24	B₂	1419	1359
25	B₂	1379	1321
26	B₂	1085	1039
27	B₂	937	897

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.589
C2	0.000	1.263	-0.260
C3	0.000	-1.263	-0.260
H4	0.873	0.000	1.241
H5	-0.873	0.000	1.241
H6	0.000	2.161	0.356
H7	0.000	-2.161	0.356
H8	0.880	1.296	-0.902
H9	-0.880	1.296	-0.902
H10	-0.880	-1.296	-0.902
H11	0.880	-1.296	-0.902

	C1	C2	C3	H4	H5	H6	H7	H8	H9	H10	H11
C1		1.5224	1.5224	1.0898	1.0898	2.1734	2.1734	2.1630	2.1630	2.1630	2.1630
C2	1.5224		2.5269	2.1478	2.1478	1.0882	3.4791	1.0897	1.0897	2.7814	2.7814
C3	1.5224	2.5269		2.1478	2.1478	3.4791	1.0882	2.7814	2.7814	1.0897	1.0897
H4	1.0898	2.1478	2.1478		1.7465	2.4932	2.4932	2.5051	3.0574	3.0574	2.5051
H5	1.0898	2.1478	2.1478	1.7465		2.4932	2.4932	3.0574	2.5051	2.5051	3.0574
H6	2.1734	1.0882	3.4791	2.4932	2.4932		4.3215	1.7619	1.7619	3.7821	3.7821
H7	2.1734	3.4791	1.0882	2.4932	2.4932	4.3215		3.7821	3.7821	1.7619	1.7619
H8	2.1630	1.0897	2.7814	2.5051	3.0574	1.7619	3.7821		1.7591	3.1323	2.5918
H9	2.1630	1.0897	2.7814	3.0574	2.5051	1.7619	3.7821	1.7591		2.5918	3.1323
H10	2.1630	2.7814	1.0897	3.0574	2.5051	3.7821	1.7619	3.1323	2.5918		1.7591
H11	2.1630	2.7814	1.0897	2.5051	3.0574	3.7821	1.7619	2.5918	3.1323	1.7591

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.637	C1	C2	H8	110.712
C1	C2	H9	110.712	C1	C3	H7	111.637
C1	C3	H10	110.712	C1	C3	H11	110.712
C2	C1	C3	112.173	C2	C1	H4	109.498
C2	C1	H5	109.498	C3	C1	H4	109.498
C3	C1	H5	109.498	H4	C1	H5	106.513
H6	C2	H8	107.996	H6	C2	H9	107.996
H7	C3	H10	107.996	H7	C3	H11	107.996
H8	C2	H9	107.638	H10	C3	H11	107.638

All results from a given calculation for C₃H₈ (Propane)

using model chemistry: CCSD(T)=FULL/cc-pVTZ

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: CCSD(T)=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₈ (Propane)