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	hartrees
Energy at 0K	-117.584473
Energy at 298.15K	-117.590930
HF Energy	-117.101537
Nuclear repulsion energy	76.287653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3245	3017	0.00
2	A₁'	1590	1478	0.00
3	A₁'	1263	1175	0.00
4	A₁"	1205	1121	0.00
5	A₂'	1148	1067	0.00
6	A₂"	3336	3102	27.59
7	A₂"	886	824	0.25
8	E'	3233	3006	20.78
8	E'	3233	3006	20.78
9	E'	1532	1424	0.88
9	E'	1532	1424	0.88
10	E'	1114	1036	6.75
10	E'	1114	1036	6.75
11	E'	933	868	22.26
11	E'	933	868	22.26
12	E"	3315	3082	0.00
12	E"	3315	3082	0.00
13	E"	1263	1174	0.00
13	E"	1263	1174	0.00
14	E"	769	715	0.00
14	E"	769	715	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.864	0.000
C2	0.749	-0.432	0.000
C3	-0.749	-0.432	0.000
H4	0.000	1.445	0.904
H5	1.252	-0.723	0.904
H6	-1.252	-0.723	0.904
H7	0.000	1.445	-0.904
H8	1.252	-0.723	-0.904
H9	-1.252	-0.723	-0.904

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4973	1.4973	1.0742	2.2140	2.2140	1.0742	2.2140	2.2140
C2	1.4973		1.4973	2.2140	1.0742	2.2140	2.2140	1.0742	2.2140
C3	1.4973	1.4973		2.2140	2.2140	1.0742	2.2140	2.2140	1.0742
H4	1.0742	2.2140	2.2140		2.5030	2.5030	1.8076	3.0875	3.0875
H5	2.2140	1.0742	2.2140	2.5030		2.5030	3.0875	1.8076	3.0875
H6	2.2140	2.2140	1.0742	2.5030	2.5030		3.0875	3.0875	1.8076
H7	1.0742	2.2140	2.2140	1.8076	3.0875	3.0875		2.5030	2.5030
H8	2.2140	1.0742	2.2140	3.0875	1.8076	3.0875	2.5030		2.5030
H9	2.2140	2.2140	1.0742	3.0875	3.0875	1.8076	2.5030	2.5030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.912
C1	C2	H8	117.912	C1	C3	C2	60.000
C1	C3	H6	117.912	C1	C3	H9	117.912
C2	C1	C3	60.000	C2	C1	H4	117.912
C2	C1	H7	117.912	C2	C3	H6	117.912
C2	C3	H9	117.912	C3	C1	H4	117.912
C3	C1	H7	117.912	C3	C2	H5	117.912
C3	C2	H8	117.912	H4	C1	H7	114.559
H5	C2	H8	114.559	H6	C3	H9	114.559

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CISD/cc-pVTZ

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: CISD/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)