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	hartrees
Energy at 0K	-117.312644
Energy at 298.15K	-117.319027
HF Energy	-117.014013
Nuclear repulsion energy	73.935764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3121	2943	0.00
2	A₁'	1528	1441	0.00
3	A₁'	1185	1117	0.00
4	A₁"	1171	1105	0.00
5	A₂'	1148	1083	0.00
6	A₂"	3220	3037	60.68
7	A₂"	875	826	2.57
8	E'	3105	2928	30.29
8	E'	3105	2928	30.29
9	E'	1493	1408	2.98
9	E'	1493	1408	2.98
10	E'	1131	1067	15.88
10	E'	1131	1067	15.88
11	E'	852	804	23.12
11	E'	852	804	23.12
12	E"	3199	3017	0.00
12	E"	3199	3017	0.00
13	E"	1227	1157	0.00
13	E"	1227	1157	0.00
14	E"	784	739	0.00
14	E"	784	739	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.897	0.000
C2	0.777	-0.448	0.000
C3	-0.777	-0.448	0.000
H4	0.000	1.491	0.922
H5	1.292	-0.746	0.922
H6	-1.292	-0.746	0.922
H7	0.000	1.491	-0.922
H8	1.292	-0.746	-0.922
H9	-1.292	-0.746	-0.922

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5533	1.5533	1.0969	2.2837	2.2837	1.0969	2.2837	2.2837
C2	1.5533		1.5533	2.2837	1.0969	2.2837	2.2837	1.0969	2.2837
C3	1.5533	1.5533		2.2837	2.2837	1.0969	2.2837	2.2837	1.0969
H4	1.0969	2.2837	2.2837		2.5830	2.5830	1.8436	3.1734	3.1734
H5	2.2837	1.0969	2.2837	2.5830		2.5830	3.1734	1.8436	3.1734
H6	2.2837	2.2837	1.0969	2.5830	2.5830		3.1734	3.1734	1.8436
H7	1.0969	2.2837	2.2837	1.8436	3.1734	3.1734		2.5830	2.5830
H8	2.2837	1.0969	2.2837	3.1734	1.8436	3.1734	2.5830		2.5830
H9	2.2837	2.2837	1.0969	3.1734	3.1734	1.8436	2.5830	2.5830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.994
C1	C2	H8	117.994	C1	C3	C2	60.000
C1	C3	H6	117.994	C1	C3	H9	117.994
C2	C1	C3	60.000	C2	C1	H4	117.994
C2	C1	H7	117.994	C2	C3	H6	117.994
C2	C3	H9	117.994	C3	C1	H4	117.994
C3	C1	H7	117.994	C3	C2	H5	117.994
C3	C2	H8	117.994	H4	C1	H7	114.361
H5	C2	H8	114.361	H6	C3	H9	114.361

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CCD/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: CCD/LANL2DZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)