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	hartrees
Energy at 0K	-20.140095
Energy at 298.15K	-20.146438
HF Energy	-19.855152
Nuclear repulsion energy	41.776512

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3109	2933	0.00
2	A₁'	1523	1437	0.00
3	A₁'	1180	1113	0.00
4	A₁"	1158	1092	0.00
5	A₂'	1113	1050	0.00
6	A₂"	3211	3029	106.47
7	A₂"	854	805	2.21
8	E'	3092	2916	42.63
8	E'	3092	2916	42.63
9	E'	1473	1389	1.65
9	E'	1473	1389	1.65
10	E'	1106	1043	13.47
10	E'	1106	1043	13.47
11	E'	843	795	25.77
11	E'	843	795	25.77
12	E"	3189	3007	0.00
12	E"	3189	3007	0.00
13	E"	1207	1138	0.00
13	E"	1207	1138	0.00
14	E"	763	720	0.00
14	E"	763	720	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.906	0.000
C2	0.785	-0.453	0.000
C3	-0.785	-0.453	0.000
H4	0.000	1.502	0.930
H5	1.301	-0.751	0.930
H6	-1.301	-0.751	0.930
H7	0.000	1.502	-0.930
H8	1.301	-0.751	-0.930
H9	-1.301	-0.751	-0.930

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5693	1.5693	1.1049	2.3030	2.3030	1.1049	2.3030	2.3030
C2	1.5693		1.5693	2.3030	1.1049	2.3030	2.3030	1.1049	2.3030
C3	1.5693	1.5693		2.3030	2.3030	1.1049	2.3030	2.3030	1.1049
H4	1.1049	2.3030	2.3030		2.6018	2.6018	1.8605	3.1986	3.1986
H5	2.3030	1.1049	2.3030	2.6018		2.6018	3.1986	1.8605	3.1986
H6	2.3030	2.3030	1.1049	2.6018	2.6018		3.1986	3.1986	1.8605
H7	1.1049	2.3030	2.3030	1.8605	3.1986	3.1986		2.6018	2.6018
H8	2.3030	1.1049	2.3030	3.1986	1.8605	3.1986	2.6018		2.6018
H9	2.3030	2.3030	1.1049	3.1986	3.1986	1.8605	2.6018	2.6018

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.856
C1	C2	H8	117.856	C1	C3	C2	60.000
C1	C3	H6	117.856	C1	C3	H9	117.856
C2	C1	C3	60.000	C2	C1	H4	117.856
C2	C1	H7	117.856	C2	C3	H6	117.856
C2	C3	H9	117.856	C3	C1	H4	117.856
C3	C1	H7	117.856	C3	C2	H5	117.856
C3	C2	H8	117.856	H4	C1	H7	114.696
H5	C2	H8	114.696	H6	C3	H9	114.696

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CCSD/CEP-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 C3H6 (Cyclopropane)

using model chemistry: CCSD/CEP-31G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)