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	hartrees
Energy at 0K	-20.317558
Energy at 298.15K	-20.323877
HF Energy	-19.910636
Nuclear repulsion energy	42.363325

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3156	3010	0.00
2	A₁'	1554	1482	0.00
3	A₁'	1221	1164	0.00
4	A₁"	1160	1106	0.00
5	A₂'	1066	1017	0.00
6	A₂"	3255	3104	72.30
7	A₂"	843	804	1.16
8	E'	3142	2997	36.13
8	E'	3142	2997	36.13
9	E'	1473	1405	0.99
9	E'	1473	1405	0.99
10	E'	1072	1022	8.92
10	E'	1072	1022	8.92
11	E'	889	848	25.76
11	E'	889	848	25.76
12	E"	3234	3084	0.00
12	E"	3234	3084	0.00
13	E"	1205	1149	0.00
13	E"	1205	1149	0.00
14	E"	731	697	0.00
14	E"	731	697	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		1.5388	1.5388	1.0989	2.2682	2.2682	1.0989	2.2682	2.2682
C2	1.5388		1.5388	2.2682	1.0989	2.2682	2.2682	1.0989	2.2682
C3	1.5388	1.5388		2.2682	2.2682	1.0989	2.2682	2.2682	1.0989
H4	1.0989	2.2682	2.2682		2.5586	2.5586	1.8557	3.1607	3.1607
H5	2.2682	1.0989	2.2682	2.5586		2.5586	3.1607	1.8557	3.1607
H6	2.2682	2.2682	1.0989	2.5586	2.5586		3.1607	3.1607	1.8557
H7	1.0989	2.2682	2.2682	1.8557	3.1607	3.1607		2.5586	2.5586
H8	2.2682	1.0989	2.2682	3.1607	1.8557	3.1607	2.5586		2.5586
H9	2.2682	2.2682	1.0989	3.1607	3.1607	1.8557	2.5586	2.5586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.647
C1	C2	H8	117.647	C1	C3	C2	60.000
C1	C3	H6	117.647	C1	C3	H9	117.647
C2	C1	C3	60.000	C2	C1	H4	117.647
C2	C1	H7	117.647	C2	C3	H6	117.647
C2	C3	H9	117.647	C3	C1	H4	117.647
C3	C1	H7	117.647	C3	C2	H5	117.647
C3	C2	H8	117.647	H4	C1	H7	115.203
H5	C2	H8	115.203	H6	C3	H9	115.203

All results from a given calculation for C₃H₆ (Cyclopropane)

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

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)