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	hartrees
Energy at 0K	-117.649571
Energy at 298.15K	-117.655974
HF Energy	-117.096667
Nuclear repulsion energy	75.706796

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3163	3024
2	A₁'	1540	1472
3	A₁'	1214	1161
4	A₁"	1186	1133
5	A₂'	1114	1065
6	A₂"	3258	3114
7	A₂"	869	831
8	E'	3153	3014
8	E'	3153	3014
9	E'	1491	1425
9	E'	1491	1425
10	E'	1103	1054
10	E'	1103	1054
11	E'	888	849
11	E'	888	849
12	E"	3238	3095
12	E"	3238	3095
13	E"	1233	1179
13	E"	1233	1179
14	E"	764	731
14	E"	764	730

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.871	0.000
C2	0.755	-0.436	0.000
C3	-0.755	-0.436	0.000
H4	0.000	1.454	0.912
H5	1.259	-0.727	0.912
H6	-1.259	-0.727	0.912
H7	0.000	1.454	-0.912
H8	1.259	-0.727	-0.912
H9	-1.259	-0.727	-0.912

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5092	1.5092	1.0825	2.2300	2.2300	1.0825	2.2300	2.2300
C2	1.5092		1.5092	2.2300	1.0825	2.2300	2.2300	1.0825	2.2300
C3	1.5092	1.5092		2.2300	2.2300	1.0825	2.2300	2.2300	1.0825
H4	1.0825	2.2300	2.2300		2.5187	2.5187	1.8244	3.1100	3.1100
H5	2.2300	1.0825	2.2300	2.5187		2.5187	3.1100	1.8244	3.1100
H6	2.2300	2.2300	1.0825	2.5187	2.5187		3.1100	3.1100	1.8244
H7	1.0825	2.2300	2.2300	1.8244	3.1100	3.1100		2.5187	2.5187
H8	2.2300	1.0825	2.2300	3.1100	1.8244	3.1100	2.5187		2.5187
H9	2.2300	2.2300	1.0825	3.1100	3.1100	1.8244	2.5187	2.5187

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.794
C1	C2	H8	117.794	C1	C3	C2	60.000
C1	C3	H6	117.794	C1	C3	H9	117.794
C2	C1	C3	60.000	C2	C1	H4	117.794
C2	C1	H7	117.794	C2	C3	H6	117.794
C2	C3	H9	117.794	C3	C1	H4	117.794
C3	C1	H7	117.794	C3	C2	H5	117.794
C3	C2	H8	117.794	H4	C1	H7	114.845
H5	C2	H8	114.845	H6	C3	H9	114.845

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CCSD(T)=FULL/TZVP

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(T)=FULL/TZVP

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)