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	hartrees
Energy at 0K	-20.422135
Energy at 298.15K	-20.428346
HF Energy	-20.422135
Nuclear repulsion energy	42.449408

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3034	3017	0.00
2	A₁'	1476	1468	0.00
3	A₁'	1145	1139	0.00
4	A₁"	1111	1105	0.00
5	A₂'	1018	1012	0.00
6	A₂"	3127	3110	72.37
7	A₂"	828	823	0.67
8	E'	3026	3010	48.64
8	E'	3026	3010	48.65
9	E'	1435	1427	0.07
9	E'	1435	1427	0.07
10	E'	1001	995	12.22
10	E'	1001	995	12.21
11	E'	822	817	19.17
11	E'	822	817	19.19
12	E"	3104	3087	0.00
12	E"	3104	3087	0.00
13	E"	1168	1162	0.00
13	E"	1168	1162	0.00
14	E"	704	700	0.00
14	E"	704	700	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.887	0.000
C2	0.768	-0.443	0.000
C3	-0.768	-0.443	0.000
H4	0.000	1.480	0.920
H5	1.282	-0.740	0.920
H6	-1.282	-0.740	0.920
H7	0.000	1.480	-0.920
H8	1.282	-0.740	-0.920
H9	-1.282	-0.740	-0.920

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5361	1.5361	1.0948	2.2666	2.2666	1.0948	2.2666	2.2666
C2	1.5361		1.5361	2.2666	1.0948	2.2666	2.2666	1.0948	2.2666
C3	1.5361	1.5361		2.2666	2.2666	1.0948	2.2666	2.2666	1.0948
H4	1.0948	2.2666	2.2666		2.5641	2.5641	1.8400	3.1560	3.1560
H5	2.2666	1.0948	2.2666	2.5641		2.5641	3.1560	1.8400	3.1560
H6	2.2666	2.2666	1.0948	2.5641	2.5641		3.1560	3.1560	1.8400
H7	1.0948	2.2666	2.2666	1.8400	3.1560	3.1560		2.5641	2.5641
H8	2.2666	1.0948	2.2666	3.1560	1.8400	3.1560	2.5641		2.5641
H9	2.2666	2.2666	1.0948	3.1560	3.1560	1.8400	2.5641	2.5641

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.000
C1	C2	H8	118.000	C1	C3	C2	60.000
C1	C3	H6	118.000	C1	C3	H9	118.000
C2	C1	C3	60.000	C2	C1	H4	118.000
C2	C1	H7	118.000	C2	C3	H6	118.000
C2	C3	H9	118.000	C3	C1	H4	118.000
C3	C1	H7	118.000	C3	C2	H5	118.000
C3	C2	H8	118.000	H4	C1	H7	114.347
H5	C2	H8	114.347	H6	C3	H9	114.347

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	-0.311
2	C	-0.311
3	C	-0.311
4	H	0.155
5	H	0.155
6	H	0.155
7	H	0.155
8	H	0.155
9	H	0.155

<r²>	40.238
(<r²>)^1/2	6.343

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: BLYP/CEP-121G*

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)