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	hartrees
Energy at 0K	-117.528300
Energy at 298.15K	-117.534680
Nuclear repulsion energy	75.169495

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3180	3043	0.00
2	A₁'	1540	1473	0.00
3	A₁'	1237	1183	0.00
4	A₁"	1161	1111	0.00
5	A₂'	1095	1048	0.00
6	A₂"	3275	3133	27.77
7	A₂"	857	820	0.16
8	E'	3167	3030	18.77
8	E'	3167	3030	18.77
9	E'	1472	1408	0.57
9	E'	1472	1408	0.57
10	E'	1080	1033	4.85
10	E'	1080	1033	4.85
11	E'	914	874	18.75
11	E'	914	874	18.75
12	E"	3256	3115	0.00
12	E"	3256	3115	0.00
13	E"	1217	1164	0.00
13	E"	1217	1164	0.00
14	E"	741	709	0.00
14	E"	741	709	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.875	0.000
C2	0.758	-0.438	0.000
C3	-0.758	-0.438	0.000
H4	0.000	1.468	0.921
H5	1.271	-0.734	0.921
H6	-1.271	-0.734	0.921
H7	0.000	1.468	-0.921
H8	1.271	-0.734	-0.921
H9	-1.271	-0.734	-0.921

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5158	1.5158	1.0951	2.2479	2.2479	1.0951	2.2479	2.2479
C2	1.5158		1.5158	2.2479	1.0951	2.2479	2.2479	1.0951	2.2479
C3	1.5158	1.5158		2.2479	2.2479	1.0951	2.2479	2.2479	1.0951
H4	1.0951	2.2479	2.2479		2.5424	2.5424	1.8418	3.1394	3.1394
H5	2.2479	1.0951	2.2479	2.5424		2.5424	3.1394	1.8418	3.1394
H6	2.2479	2.2479	1.0951	2.5424	2.5424		3.1394	3.1394	1.8418
H7	1.0951	2.2479	2.2479	1.8418	3.1394	3.1394		2.5424	2.5424
H8	2.2479	1.0951	2.2479	3.1394	1.8418	3.1394	2.5424		2.5424
H9	2.2479	2.2479	1.0951	3.1394	3.1394	1.8418	2.5424	2.5424

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.950
C1	C2	H8	117.950	C1	C3	C2	60.000
C1	C3	H6	117.950	C1	C3	H9	117.950
C2	C1	C3	60.000	C2	C1	H4	117.950
C2	C1	H7	117.950	C2	C3	H6	117.950
C2	C3	H9	117.950	C3	C1	H4	117.950
C3	C1	H7	117.950	C3	C2	H5	117.950
C3	C2	H8	117.950	H4	C1	H7	114.468
H5	C2	H8	114.468	H6	C3	H9	114.468

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CCD/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)