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	hartrees
Energy at 0K	-115.877408
Energy at 298.15K	-115.883738
HF Energy	-115.660726
Nuclear repulsion energy	74.222809

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3378	3378	0.00
2	A₁'	1661	1661	0.00
3	A₁'	1299	1299	0.00
4	A₁"	1261	1261	0.00
5	A₂'	1222	1222	0.00
6	A₂"	3512	3512	1.04
7	A₂"	878	878	0.00
8	E'	3363	3363	0.53
8	E'	3363	3363	0.53
9	E'	1605	1605	0.24
9	E'	1605	1605	0.24
10	E'	1244	1244	0.16
10	E'	1244	1244	0.16
11	E'	1001	1001	3.19
11	E'	1001	1001	3.19
12	E"	3506	3506	0.00
12	E"	3506	3506	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		1.5377	1.5377	1.1052	2.2771	2.2771	1.1052	2.2771	2.2771
C2	1.5377		1.5377	2.2771	1.1052	2.2771	2.2771	1.1052	2.2771
C3	1.5377	1.5377		2.2771	2.2771	1.1052	2.2771	2.2771	1.1052
H4	1.1052	2.2771	2.2771		2.5777	2.5777	1.8557	3.1762	3.1762
H5	2.2771	1.1052	2.2771	2.5777		2.5777	3.1762	1.8557	3.1762
H6	2.2771	2.2771	1.1052	2.5777	2.5777		3.1762	3.1762	1.8557
H7	1.1052	2.2771	2.2771	1.8557	3.1762	3.1762		2.5777	2.5777
H8	2.2771	1.1052	2.2771	3.1762	1.8557	3.1762	2.5777		2.5777
H9	2.2771	2.2771	1.1052	3.1762	3.1762	1.8557	2.5777	2.5777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.068
C1	C2	H8	118.068	C1	C3	C2	60.000
C1	C3	H6	118.068	C1	C3	H9	118.068
C2	C1	C3	60.000	C2	C1	H4	118.068
C2	C1	H7	118.068	C2	C3	H6	118.068
C2	C3	H9	118.068	C3	C1	H4	118.068
C3	C1	H7	118.068	C3	C2	H5	118.068
C3	C2	H8	118.068	H4	C1	H7	114.181
H5	C2	H8	114.181	H6	C3	H9	114.181

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CCSD=FULL/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: CCSD=FULL/STO-3G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)