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	hartrees
Energy at 0K	-20.315573
Energy at 298.15K	-20.321899
HF Energy	-19.910691
Nuclear repulsion energy	42.376596

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3161	2981	0.00
2	A₁'	1558	1469	0.00
3	A₁'	1225	1155	0.00
4	A₁"	1160	1094	0.00
5	A₂'	1070	1009	0.00
6	A₂"	3262	3076	66.23
7	A₂"	844	796	1.25
8	E'	3148	2969	33.01
8	E'	3148	2969	33.01
9	E'	1474	1391	1.25
9	E'	1474	1391	1.25
10	E'	1074	1013	9.02
10	E'	1074	1013	9.02
11	E'	894	843	26.33
11	E'	894	843	26.33
12	E"	3241	3057	0.00
12	E"	3241	3057	0.00
13	E"	1207	1138	0.00
13	E"	1207	1138	0.00
14	E"	733	691	0.00
14	E"	733	691	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.888	0.000
C2	0.769	-0.444	0.000
C3	-0.769	-0.444	0.000
H4	0.000	1.477	0.928
H5	1.279	-0.738	0.928
H6	-1.279	-0.738	0.928
H7	0.000	1.477	-0.928
H8	1.279	-0.738	-0.928
H9	-1.279	-0.738	-0.928

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5381	1.5381	1.0988	2.2675	2.2675	1.0988	2.2675	2.2675
C2	1.5381		1.5381	2.2675	1.0988	2.2675	2.2675	1.0988	2.2675
C3	1.5381	1.5381		2.2675	2.2675	1.0988	2.2675	2.2675	1.0988
H4	1.0988	2.2675	2.2675		2.5578	2.5578	1.8555	3.1600	3.1600
H5	2.2675	1.0988	2.2675	2.5578		2.5578	3.1600	1.8555	3.1600
H6	2.2675	2.2675	1.0988	2.5578	2.5578		3.1600	3.1600	1.8555
H7	1.0988	2.2675	2.2675	1.8555	3.1600	3.1600		2.5578	2.5578
H8	2.2675	1.0988	2.2675	3.1600	1.8555	3.1600	2.5578		2.5578
H9	2.2675	2.2675	1.0988	3.1600	3.1600	1.8555	2.5578	2.5578

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.646
C1	C2	H8	117.646	C1	C3	C2	60.000
C1	C3	H6	117.646	C1	C3	H9	117.646
C2	C1	C3	60.000	C2	C1	H4	117.646
C2	C1	H7	117.646	C2	C3	H6	117.646
C2	C3	H9	117.646	C3	C1	H4	117.646
C3	C1	H7	117.646	C3	C2	H5	117.646
C3	C2	H8	117.646	H4	C1	H7	115.205
H5	C2	H8	115.204	H6	C3	H9	115.204

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CCD/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: CCD/CEP-31G*

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)