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	hartrees
Energy at 0K	-20.317280
Energy at 298.15K	-20.323601
HF Energy	-19.910654
Nuclear repulsion energy	42.366924

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3157	2978	0.00
2	A₁'	1555	1467	0.00
3	A₁'	1222	1152	0.00
4	A₁"	1160	1094	0.00
5	A₂'	1067	1006	0.00
6	A₂"	3256	3071	70.95
7	A₂"	843	795	1.18
8	E'	3144	2965	35.72
8	E'	3144	2965	35.72
9	E'	1474	1390	1.04
9	E'	1474	1390	1.04
10	E'	1072	1011	8.92
10	E'	1072	1011	8.92
11	E'	890	839	25.86
11	E'	890	839	25.86
12	E"	3235	3051	0.00
12	E"	3235	3051	0.00
13	E"	1206	1137	0.00
13	E"	1206	1137	0.00
14	E"	731	690	0.00
14	E"	731	690	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	-0.739	0.928
H6	-1.279	-0.739	0.928
H7	0.000	1.477	-0.928
H8	1.279	-0.739	-0.928
H9	-1.279	-0.739	-0.928

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5386	1.5386	1.0988	2.2680	2.2680	1.0988	2.2680	2.2680
C2	1.5386		1.5386	2.2680	1.0988	2.2680	2.2680	1.0988	2.2680
C3	1.5386	1.5386		2.2680	2.2680	1.0988	2.2680	2.2680	1.0988
H4	1.0988	2.2680	2.2680		2.5584	2.5584	1.8556	3.1605	3.1605
H5	2.2680	1.0988	2.2680	2.5584		2.5584	3.1605	1.8556	3.1605
H6	2.2680	2.2680	1.0988	2.5584	2.5584		3.1605	3.1605	1.8556
H7	1.0988	2.2680	2.2680	1.8556	3.1605	3.1605		2.5584	2.5584
H8	2.2680	1.0988	2.2680	3.1605	1.8556	3.1605	2.5584		2.5584
H9	2.2680	2.2680	1.0988	3.1605	3.1605	1.8556	2.5584	2.5584

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	115.205	H6	C3	H9	115.205

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)