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	hartrees
Energy at 0K	-20.318352
Energy at 298.15K
HF Energy	-19.922350
Nuclear repulsion energy	42.854233

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	3030	0.00	263.75	0.04	0.08
2	A₁'	1551	1478	0.00	1.91	0.52	0.68
3	A₁'	1221	1163	0.00	36.05	0.06	0.12
4	A₁"	1187	1131	0.00	0.00	0.33	0.50
5	A₂'	1084	1033	0.00	0.00	0.00	0.00
6	A₂"	3288	3133	36.63	0.00	0.73	0.85
7	A₂"	861	820	0.34	0.00	0.75	0.86
8	E'	3170	3020	23.18	21.79	0.75	0.86
8	E'	3170	3020	23.18	21.79	0.75	0.86
9	E'	1499	1428	0.81	6.31	0.75	0.86
9	E'	1499	1428	0.81	6.31	0.75	0.86
10	E'	1086	1035	13.47	0.60	0.75	0.86
10	E'	1086	1035	13.47	0.60	0.75	0.86
11	E'	897	855	23.12	14.92	0.75	0.86
11	E'	897	855	23.12	14.92	0.75	0.86
12	E"	3269	3115	0.00	88.93	0.75	0.86
12	E"	3269	3115	0.00	88.93	0.75	0.86
13	E"	1230	1172	0.00	5.43	0.75	0.86
13	E"	1230	1172	0.00	5.43	0.75	0.86
14	E"	753	718	0.00	0.65	0.75	0.86
14	E"	753	718	0.00	0.65	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.878	0.000
C2	0.761	-0.439	0.000
C3	-0.761	-0.439	0.000
H4	0.000	1.461	0.916
H5	1.265	-0.731	0.916
H6	-1.265	-0.731	0.916
H7	0.000	1.461	-0.916
H8	1.265	-0.731	-0.916
H9	-1.265	-0.731	-0.916

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5214	1.5214	1.0859	2.2427	2.2427	1.0859	2.2427	2.2427
C2	1.5214		1.5214	2.2427	1.0859	2.2427	2.2427	1.0859	2.2427
C3	1.5214	1.5214		2.2427	2.2427	1.0859	2.2427	2.2427	1.0859
H4	1.0859	2.2427	2.2427		2.5309	2.5309	1.8325	3.1247	3.1247
H5	2.2427	1.0859	2.2427	2.5309		2.5309	3.1247	1.8325	3.1247
H6	2.2427	2.2427	1.0859	2.5309	2.5309		3.1247	3.1247	1.8325
H7	1.0859	2.2427	2.2427	1.8325	3.1247	3.1247		2.5309	2.5309
H8	2.2427	1.0859	2.2427	3.1247	1.8325	3.1247	2.5309		2.5309
H9	2.2427	2.2427	1.0859	3.1247	3.1247	1.8325	2.5309	2.5309

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.699
C1	C2	H8	117.699	C1	C3	C2	60.000
C1	C3	H6	117.699	C1	C3	H9	117.699
C2	C1	C3	60.000	C2	C1	H4	117.699
C2	C1	H7	117.699	C2	C3	H6	117.699
C2	C3	H9	117.699	C3	C1	H4	117.699
C3	C1	H7	117.699	C3	C2	H5	117.699
C3	C2	H8	117.699	H4	C1	H7	115.076
H5	C2	H8	115.076	H6	C3	H9	115.076

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: MP2/CEP-121G*

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: MP2/CEP-121G*

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)