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	hartrees
Energy at 0K	-20.408156
Energy at 298.15K	-20.414313
HF Energy	-20.408156
Nuclear repulsion energy	42.186671

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3061	3044	0.00
2	A₁'	1475	1467	0.00
3	A₁'	1159	1152	0.00
4	A₁"	1099	1093	0.00
5	A₂'	1000	995	0.00
6	A₂"	3157	3139	81.72
7	A₂"	807	803	4.09
8	E'	3053	3036	41.97
8	E'	3053	3036	41.97
9	E'	1414	1406	0.86
9	E'	1414	1406	0.86
10	E'	987	981	16.66
10	E'	987	981	16.65
11	E'	825	821	22.65
11	E'	825	821	22.64
12	E"	3129	3112	0.00
12	E"	3129	3112	0.00
13	E"	1148	1142	0.00
13	E"	1148	1142	0.00
14	E"	683	680	0.00
14	E"	683	680	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.893	0.000
C2	0.773	-0.447	0.000
C3	-0.773	-0.447	0.000
H4	0.000	1.486	0.928
H5	1.287	-0.743	0.928
H6	-1.287	-0.743	0.928
H7	0.000	1.486	-0.928
H8	1.287	-0.743	-0.928
H9	-1.287	-0.743	-0.928

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5468	1.5468	1.1014	2.2792	2.2792	1.1014	2.2792	2.2792
C2	1.5468		1.5468	2.2792	1.1014	2.2792	2.2792	1.1014	2.2792
C3	1.5468	1.5468		2.2792	2.2792	1.1014	2.2792	2.2792	1.1014
H4	1.1014	2.2792	2.2792		2.5741	2.5741	1.8560	3.1735	3.1735
H5	2.2792	1.1014	2.2792	2.5741		2.5741	3.1735	1.8560	3.1735
H6	2.2792	2.2792	1.1014	2.5741	2.5741		3.1735	3.1735	1.8560
H7	1.1014	2.2792	2.2792	1.8560	3.1735	3.1735		2.5741	2.5741
H8	2.2792	1.1014	2.2792	3.1735	1.8560	3.1735	2.5741		2.5741
H9	2.2792	2.2792	1.1014	3.1735	3.1735	1.8560	2.5741	2.5741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.799
C1	C2	H8	117.799	C1	C3	C2	60.000
C1	C3	H6	117.799	C1	C3	H9	117.799
C2	C1	C3	60.000	C2	C1	H4	117.799
C2	C1	H7	117.799	C2	C3	H6	117.799
C2	C3	H9	117.799	C3	C1	H4	117.799
C3	C1	H7	117.799	C3	C2	H5	117.799
C3	C2	H8	117.799	H4	C1	H7	114.833
H5	C2	H8	114.833	H6	C3	H9	114.833

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: BLYP/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	-0.374
2	C	-0.374
3	C	-0.374
4	H	0.187
5	H	0.187
6	H	0.187
7	H	0.187
8	H	0.187
9	H	0.187

<r²>	40.203
(<r²>)^1/2	6.341

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: BLYP/CEP-31G*

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)