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	hartrees
Energy at 0K	-115.876106
Energy at 298.15K	-115.882438
HF Energy	-115.660670
Nuclear repulsion energy	74.212814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3377	3377	0.00
2	A₁'	1661	1661	0.00
3	A₁'	1299	1299	0.00
4	A₁"	1260	1260	0.00
5	A₂'	1228	1228	0.00
6	A₂"	3511	3511	1.11
7	A₂"	878	878	0.00
8	E'	3363	3363	0.43
8	E'	3363	3363	0.43
9	E'	1605	1605	0.21
9	E'	1605	1605	0.21
10	E'	1248	1248	0.31
10	E'	1248	1248	0.31
11	E'	1002	1002	2.96
11	E'	1002	1002	2.96
12	E"	3505	3505	0.00
12	E"	3505	3505	0.00
13	E"	1307	1307	0.00
13	E"	1307	1307	0.00
14	E"	808	808	0.00
14	E"	808	808	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.888	0.000
C2	0.769	-0.444	0.000
C3	-0.769	-0.444	0.000
H4	0.000	1.488	0.928
H5	1.289	-0.744	0.928
H6	-1.289	-0.744	0.928
H7	0.000	1.488	-0.928
H8	1.289	-0.744	-0.928
H9	-1.289	-0.744	-0.928

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5379	1.5379	1.1053	2.2774	2.2774	1.1053	2.2774	2.2774
C2	1.5379		1.5379	2.2774	1.1053	2.2774	2.2774	1.1053	2.2774
C3	1.5379	1.5379		2.2774	2.2774	1.1053	2.2774	2.2774	1.1053
H4	1.1053	2.2774	2.2774		2.5781	2.5781	1.8559	3.1766	3.1766
H5	2.2774	1.1053	2.2774	2.5781		2.5781	3.1766	1.8559	3.1766
H6	2.2774	2.2774	1.1053	2.5781	2.5781		3.1766	3.1766	1.8559
H7	1.1053	2.2774	2.2774	1.8559	3.1766	3.1766		2.5781	2.5781
H8	2.2774	1.1053	2.2774	3.1766	1.8559	3.1766	2.5781		2.5781
H9	2.2774	2.2774	1.1053	3.1766	3.1766	1.8559	2.5781	2.5781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.070
C1	C2	H8	118.070	C1	C3	C2	60.000
C1	C3	H6	118.070	C1	C3	H9	118.070
C2	C1	C3	60.000	C2	C1	H4	118.070
C2	C1	H7	118.070	C2	C3	H6	118.070
C2	C3	H9	118.070	C3	C1	H4	118.070
C3	C1	H7	118.070	C3	C2	H5	118.070
C3	C2	H8	118.070	H4	C1	H7	114.177
H5	C2	H8	114.177	H6	C3	H9	114.177

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CCD/STO-3G

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: CCD/STO-3G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)