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	hartrees
Energy at 0K	-117.655065
Energy at 298.15K	-117.661447
HF Energy	-117.101830
Nuclear repulsion energy	75.858944

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3172	3032	0.00
2	A₁'	1546	1477	0.00
3	A₁'	1227	1173	0.00
4	A₁"	1167	1115	0.00
5	A₂'	1100	1051	0.00
6	A₂"	3262	3118	26.10
7	A₂"	857	820	0.27
8	E'	3161	3021	19.17
8	E'	3161	3021	19.17
9	E'	1491	1425	0.64
9	E'	1491	1425	0.64
10	E'	1068	1021	7.05
10	E'	1068	1021	7.05
11	E'	903	863	20.25
11	E'	903	863	20.25
12	E"	3241	3098	0.00
12	E"	3241	3098	0.00
13	E"	1224	1170	0.00
13	E"	1224	1170	0.00
14	E"	743	710	0.00
14	E"	743	710	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.870	0.000
C2	0.753	-0.435	0.000
C3	-0.753	-0.435	0.000
H4	0.000	1.452	0.910
H5	1.257	-0.726	0.910
H6	-1.257	-0.726	0.910
H7	0.000	1.452	-0.910
H8	1.257	-0.726	-0.910
H9	-1.257	-0.726	-0.910

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5061	1.5061	1.0802	2.2257	2.2257	1.0802	2.2257	2.2257
C2	1.5061		1.5061	2.2257	1.0802	2.2257	2.2257	1.0802	2.2257
C3	1.5061	1.5061		2.2257	2.2257	1.0802	2.2257	2.2257	1.0802
H4	1.0802	2.2257	2.2257		2.5145	2.5145	1.8198	3.1039	3.1039
H5	2.2257	1.0802	2.2257	2.5145		2.5145	3.1039	1.8198	3.1039
H6	2.2257	2.2257	1.0802	2.5145	2.5145		3.1039	3.1039	1.8198
H7	1.0802	2.2257	2.2257	1.8198	3.1039	3.1039		2.5145	2.5145
H8	2.2257	1.0802	2.2257	3.1039	1.8198	3.1039	2.5145		2.5145
H9	2.2257	2.2257	1.0802	3.1039	3.1039	1.8198	2.5145	2.5145

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.823
C1	C2	H8	117.823	C1	C3	C2	60.000
C1	C3	H6	117.823	C1	C3	H9	117.823
C2	C1	C3	60.000	C2	C1	H4	117.823
C2	C1	H7	117.823	C2	C3	H6	117.823
C2	C3	H9	117.823	C3	C1	H4	117.823
C3	C1	H7	117.823	C3	C2	H5	117.823
C3	C2	H8	117.823	H4	C1	H7	114.775
H5	C2	H8	114.775	H6	C3	H9	114.775

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CCSD/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)