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	hartrees
Energy at 0K	-117.582812
Energy at 298.15K	-117.589272
HF Energy	-117.101540
Nuclear repulsion energy	76.312132

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3249	3010	0.00
2	A₁'	1592	1475	0.00
3	A₁'	1266	1173	0.00
4	A₁"	1206	1117	0.00
5	A₂'	1149	1065	0.00
6	A₂"	3340	3095	26.50
7	A₂"	887	822	0.26
8	E'	3237	2999	20.02
8	E'	3237	2999	20.02
9	E'	1533	1420	0.95
9	E'	1533	1420	0.95
10	E'	1115	1033	6.78
10	E'	1115	1033	6.78
11	E'	936	867	22.48
11	E'	936	867	22.48
12	E"	3320	3076	0.00
12	E"	3320	3076	0.00
13	E"	1264	1171	0.00
13	E"	1264	1171	0.00
14	E"	770	713	0.00
14	E"	770	713	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.864	0.000
C2	0.748	-0.432	0.000
C3	-0.748	-0.432	0.000
H4	0.000	1.445	0.904
H5	1.251	-0.722	0.904
H6	-1.251	-0.722	0.904
H7	0.000	1.445	-0.904
H8	1.251	-0.722	-0.904
H9	-1.251	-0.722	-0.904

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4967	1.4967	1.0740	2.2133	2.2133	1.0740	2.2133	2.2133
C2	1.4967		1.4967	2.2133	1.0740	2.2133	2.2133	1.0740	2.2133
C3	1.4967	1.4967		2.2133	2.2133	1.0740	2.2133	2.2133	1.0740
H4	1.0740	2.2133	2.2133		2.5023	2.5023	1.8071	3.0866	3.0866
H5	2.2133	1.0740	2.2133	2.5023		2.5023	3.0866	1.8071	3.0866
H6	2.2133	2.2133	1.0740	2.5023	2.5023		3.0866	3.0866	1.8071
H7	1.0740	2.2133	2.2133	1.8071	3.0866	3.0866		2.5023	2.5023
H8	2.2133	1.0740	2.2133	3.0866	1.8071	3.0866	2.5023		2.5023
H9	2.2133	2.2133	1.0740	3.0866	3.0866	1.8071	2.5023	2.5023

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: CID/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: CID/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)