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	hartrees
Energy at 0K	-117.822780
Energy at 298.15K
HF Energy	-117.822780
Nuclear repulsion energy	75.038998

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'	3067	3043	0.00	249.81	0.04	0.07
2	A₁'	1489	1477	0.00	8.11	0.64	0.78
3	A₁'	1180	1171	0.00	27.18	0.09	0.16
4	A₁"	1123	1114	0.00	0.00	0.75	0.86
5	A₂'	1044	1036	0.00	0.00	0.75	0.86
6	A₂"	3155	3131	44.52	0.00	0.75	0.86
7	A₂"	842	835	0.57	0.00	0.75	0.86
8	E'	3061	3037	31.31	21.25	0.75	0.86
8	E'	3061	3037	31.31	21.25	0.75	0.86
9	E'	1450	1438	0.06	10.51	0.75	0.86
9	E'	1450	1438	0.06	10.51	0.75	0.86
10	E'	1024	1016	8.70	0.36	0.75	0.86
10	E'	1024	1016	8.70	0.36	0.75	0.86
11	E'	853	846	13.01	13.68	0.75	0.86
11	E'	853	846	13.01	13.68	0.75	0.86
12	E"	3134	3110	0.00	97.74	0.75	0.86
12	E"	3134	3110	0.00	97.74	0.75	0.86
13	E"	1184	1174	0.00	12.20	0.75	0.86
13	E"	1184	1174	0.00	12.20	0.75	0.86
14	E"	716	710	0.00	2.75	0.75	0.86
14	E"	716	710	0.00	2.75	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	1.474	0.916
H5	1.276	-0.737	0.916
H6	-1.276	-0.737	0.916
H7	0.000	1.474	-0.916
H8	1.276	-0.737	-0.916
H9	-1.276	-0.737	-0.916

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5210	1.5210	1.0927	2.2531	2.2531	1.0927	2.2531	2.2531
C2	1.5210		1.5210	2.2531	1.0927	2.2531	2.2531	1.0927	2.2531
C3	1.5210	1.5210		2.2531	2.2531	1.0927	2.2531	2.2531	1.0927
H4	1.0927	2.2531	2.2531		2.5526	2.5526	1.8323	3.1422	3.1422
H5	2.2531	1.0927	2.2531	2.5526		2.5526	3.1422	1.8323	3.1422
H6	2.2531	2.2531	1.0927	2.5526	2.5526		3.1422	3.1422	1.8323
H7	1.0927	2.2531	2.2531	1.8323	3.1422	3.1422		2.5526	2.5526
H8	2.2531	1.0927	2.2531	3.1422	1.8323	3.1422	2.5526		2.5526
H9	2.2531	2.2531	1.0927	3.1422	3.1422	1.8323	2.5526	2.5526

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.167
C1	C2	H8	118.167	C1	C3	C2	60.000
C1	C3	H6	118.167	C1	C3	H9	118.167
C2	C1	C3	60.000	C2	C1	H4	118.167
C2	C1	H7	118.167	C2	C3	H6	118.167
C2	C3	H9	118.167	C3	C1	H4	118.167
C3	C1	H7	118.167	C3	C2	H5	118.167
C3	C2	H8	118.167	H4	C1	H7	113.942
H5	C2	H8	113.942	H6	C3	H9	113.942

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: BLYP/6-31G**

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	-0.187
2	C	-0.187
3	C	-0.187
4	H	0.094
5	H	0.094
6	H	0.094
7	H	0.094
8	H	0.094
9	H	0.094

<r²>	44.249
(<r²>)^1/2	6.652

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: BLYP/6-31G**

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)