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	hartrees
Energy at 0K	-20.536052
Energy at 298.15K
HF Energy	-20.536052
Nuclear repulsion energy	42.643410

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁'	3180	3180	0.00	254.16	0.06	0.11
2	A₁'	1551	1551	0.00	13.57	0.20	0.34
3	A₁'	1224	1224	0.00	37.72	0.12	0.22
4	A₁"	1147	1147	0.00	0.00	0.75	0.86
5	A₂'	1066	1066	0.00	0.00	0.75	0.86
6	A₂"	3268	3268	83.41	0.00	0.75	0.86
7	A₂"	836	836	2.91	0.00	0.75	0.86
8	E'	3168	3168	45.30	16.19	0.75	0.86
8	E'	3168	3168	44.93	16.18	0.75	0.86
9	E'	1465	1465	1.54	4.01	0.75	0.86
9	E'	1465	1465	1.52	4.02	0.75	0.86
10	E'	1050	1050	8.40	3.10	0.75	0.86
10	E'	1050	1050	8.39	3.13	0.75	0.86
11	E'	913	913	29.54	14.17	0.75	0.86
11	E'	913	913	29.54	14.17	0.75	0.86
12	E"	3245	3245	0.00	73.91	0.75	0.86
12	E"	3245	3245	0.00	73.58	0.75	0.86
13	E"	1192	1192	0.00	8.05	0.75	0.86
13	E"	1192	1192	0.00	7.99	0.75	0.86
14	E"	715	715	0.00	0.81	0.75	0.86
14	E"	715	715	0.00	0.80	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.882	0.000
C2	0.764	-0.441	0.000
C3	-0.764	-0.441	0.000
H4	0.000	1.469	0.921
H5	1.273	-0.735	0.921
H6	-1.273	-0.735	0.921
H7	0.000	1.469	-0.921
H8	1.273	-0.735	-0.921
H9	-1.273	-0.735	-0.921

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5271	1.5271	1.0927	2.2541	2.2541	1.0927	2.2541	2.2541
C2	1.5271		1.5271	2.2541	1.0927	2.2541	2.2541	1.0927	2.2541
C3	1.5271	1.5271		2.2541	2.2541	1.0927	2.2541	2.2541	1.0927
H4	1.0927	2.2541	2.2541		2.5452	2.5452	1.8424	3.1420	3.1420
H5	2.2541	1.0927	2.2541	2.5452		2.5452	3.1420	1.8424	3.1420
H6	2.2541	2.2541	1.0927	2.5452	2.5452		3.1420	3.1420	1.8424
H7	1.0927	2.2541	2.2541	1.8424	3.1420	3.1420		2.5452	2.5452
H8	2.2541	1.0927	2.2541	3.1420	1.8424	3.1420	2.5452		2.5452
H9	2.2541	2.2541	1.0927	3.1420	3.1420	1.8424	2.5452	2.5452

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.764
C1	C2	H8	117.764	C1	C3	C2	60.000
C1	C3	H6	117.764	C1	C3	H9	117.764
C2	C1	C3	60.000	C2	C1	H4	117.764
C2	C1	H7	117.764	C2	C3	H6	117.764
C2	C3	H9	117.764	C3	C1	H4	117.764
C3	C1	H7	117.764	C3	C2	H5	117.764
C3	C2	H8	117.764	H4	C1	H7	114.919
H5	C2	H8	114.919	H6	C3	H9	114.919

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	C	-0.349
2	C	-0.349
3	C	-0.349
4	H	0.175
5	H	0.175
6	H	0.175
7	H	0.175
8	H	0.175
9	H	0.175

<r²>	39.504
(<r²>)^1/2	6.285

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: wB97X-D/CEP-31G*

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)