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	hartrees
Energy at 0K	-117.319558
Energy at 298.15K	-117.325917
HF Energy	-117.013400
Nuclear repulsion energy	73.800633

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3102	2959
2	A₁'	1518	1448
3	A₁'	1167	1113
4	A₁"	1166	1112
5	A₂'	1132	1080
6	A₂"	3203	3055
7	A₂"	872	831
8	E'	3087	2944
8	E'	3087	2944
9	E'	1486	1417
9	E'	1486	1417
10	E'	1123	1071
10	E'	1123	1071
11	E'	833	795
11	E'	833	795
12	E"	3182	3035
12	E"	3182	3034
13	E"	1220	1164
13	E"	1220	1164
14	E"	780	744
14	E"	779	743

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.899	0.000
C2	0.779	-0.449	0.000
C3	-0.779	-0.449	0.000
H4	0.000	1.493	0.923
H5	1.293	-0.747	0.923
H6	-1.293	-0.747	0.923
H7	0.000	1.493	-0.923
H8	1.293	-0.747	-0.923
H9	-1.293	-0.747	-0.923

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5571	1.5571	1.0979	2.2874	2.2874	1.0979	2.2874	2.2874
C2	1.5571		1.5571	2.2874	1.0979	2.2874	2.2874	1.0979	2.2874
C3	1.5571	1.5571		2.2874	2.2874	1.0979	2.2874	2.2874	1.0979
H4	1.0979	2.2874	2.2874		2.5861	2.5861	1.8467	3.1777	3.1777
H5	2.2874	1.0979	2.2874	2.5861		2.5861	3.1777	1.8467	3.1777
H6	2.2874	2.2874	1.0979	2.5861	2.5861		3.1777	3.1777	1.8467
H7	1.0979	2.2874	2.2874	1.8467	3.1777	3.1777		2.5861	2.5861
H8	2.2874	1.0979	2.2874	3.1777	1.8467	3.1777	2.5861		2.5861
H9	2.2874	2.2874	1.0979	3.1777	3.1777	1.8467	2.5861	2.5861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.943
C1	C2	H8	117.943	C1	C3	C2	60.000
C1	C3	H6	117.943	C1	C3	H9	117.943
C2	C1	C3	60.000	C2	C1	H4	117.943
C2	C1	H7	117.943	C2	C3	H6	117.943
C2	C3	H9	117.943	C3	C1	H4	117.943
C3	C1	H7	117.943	C3	C2	H5	117.943
C3	C2	H8	117.943	H4	C1	H7	114.484
H5	C2	H8	114.484	H6	C3	H9	114.484

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: QCISD(T)/LANL2DZ

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: QCISD(T)/LANL2DZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)