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	hartrees
Energy at 0K	-117.640651
Energy at 298.15K	-117.647044
HF Energy	-117.098619
Nuclear repulsion energy	75.866532

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3169	2989	0.00
2	A₁'	1547	1459	0.00
3	A₁'	1230	1160	0.00
4	A₁"	1175	1108	0.00
5	A₂'	1112	1049	0.00
6	A₂"	3261	3075	26.87
7	A₂"	863	814	0.21
8	E'	3158	2978	19.71
8	E'	3158	2978	19.71
9	E'	1494	1409	0.68
9	E'	1494	1409	0.68
10	E'	1078	1016	7.10
10	E'	1078	1016	7.10
11	E'	906	855	19.99
11	E'	906	855	19.99
12	E"	3241	3056	0.00
12	E"	3241	3056	0.00
13	E"	1229	1159	0.00
13	E"	1229	1159	0.00
14	E"	750	707	0.00
14	E"	750	707	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.869	0.000
C2	0.753	-0.434	0.000
C3	-0.753	-0.434	0.000
H4	0.000	1.453	0.910
H5	1.258	-0.726	0.910
H6	-1.258	-0.726	0.910
H7	0.000	1.453	-0.910
H8	1.258	-0.726	-0.910
H9	-1.258	-0.726	-0.910

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5051	1.5051	1.0809	2.2263	2.2263	1.0809	2.2263	2.2263
C2	1.5051		1.5051	2.2263	1.0809	2.2263	2.2263	1.0809	2.2263
C3	1.5051	1.5051		2.2263	2.2263	1.0809	2.2263	2.2263	1.0809
H4	1.0809	2.2263	2.2263		2.5166	2.5166	1.8192	3.1053	3.1053
H5	2.2263	1.0809	2.2263	2.5166		2.5166	3.1053	1.8192	3.1053
H6	2.2263	2.2263	1.0809	2.5166	2.5166		3.1053	3.1053	1.8192
H7	1.0809	2.2263	2.2263	1.8192	3.1053	3.1053		2.5166	2.5166
H8	2.2263	1.0809	2.2263	3.1053	1.8192	3.1053	2.5166		2.5166
H9	2.2263	2.2263	1.0809	3.1053	3.1053	1.8192	2.5166	2.5166

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.898
C1	C2	H8	117.898	C1	C3	C2	60.000
C1	C3	H6	117.898	C1	C3	H9	117.898
C2	C1	C3	60.000	C2	C1	H4	117.898
C2	C1	H7	117.898	C2	C3	H6	117.898
C2	C3	H9	117.898	C3	C1	H4	117.898
C3	C1	H7	117.898	C3	C2	H5	117.898
C3	C2	H8	117.898	H4	C1	H7	114.595
H5	C2	H8	114.595	H6	C3	H9	114.595

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CCSD/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)