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	hartrees
Energy at 0K	-117.551767
Energy at 298.15K	-117.558113
HF Energy	-117.065982
Nuclear repulsion energy	75.044958

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3162	3046
2	A₁'	1521	1465
3	A₁'	1219	1174
4	A₁"	1151	1108
5	A₂'	1074	1035
6	A₂"	3258	3138
7	A₂"	848	817
8	E'	3150	3034
8	E'	3149	3034
9	E'	1459	1405
9	E'	1458	1405
10	E'	1061	1022
10	E'	1061	1022
11	E'	897	864
11	E'	897	864
12	E"	3239	3119
12	E"	3239	3119
13	E"	1204	1160
13	E"	1204	1160
14	E"	731	704
14	E"	730	704

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.877	0.000
C2	0.760	-0.439	0.000
C3	-0.760	-0.439	0.000
H4	0.000	1.469	0.922
H5	1.272	-0.734	0.922
H6	-1.272	-0.734	0.922
H7	0.000	1.469	-0.922
H8	1.272	-0.734	-0.922
H9	-1.272	-0.734	-0.922

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5195	1.5195	1.0958	2.2510	2.2510	1.0958	2.2510	2.2510
C2	1.5195		1.5195	2.2510	1.0958	2.2510	2.2510	1.0958	2.2510
C3	1.5195	1.5195		2.2510	2.2510	1.0958	2.2510	2.2510	1.0958
H4	1.0958	2.2510	2.2510		2.5443	2.5443	1.8447	3.1427	3.1427
H5	2.2510	1.0958	2.2510	2.5443		2.5443	3.1427	1.8447	3.1427
H6	2.2510	2.2510	1.0958	2.5443	2.5443		3.1427	3.1427	1.8447
H7	1.0958	2.2510	2.2510	1.8447	3.1427	3.1427		2.5443	2.5443
H8	2.2510	1.0958	2.2510	3.1427	1.8447	3.1427	2.5443		2.5443
H9	2.2510	2.2510	1.0958	3.1427	3.1427	1.8447	2.5443	2.5443

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.880
C1	C2	H8	117.880	C1	C3	C2	60.000
C1	C3	H6	117.880	C1	C3	H9	117.880
C2	C1	C3	60.000	C2	C1	H4	117.880
C2	C1	H7	117.880	C2	C3	H6	117.880
C2	C3	H9	117.880	C3	C1	H4	117.880
C3	C1	H7	117.880	C3	C2	H5	117.880
C3	C2	H8	117.880	H4	C1	H7	114.638
H5	C2	H8	114.638	H6	C3	H9	114.638

All results from a given calculation for C₃H₆ (Cyclopropane)

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

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 C3H6 (Cyclopropane)

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

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)