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	hartrees
Energy at 0K	-117.584135
Energy at 298.15K	-117.590538
HF Energy	-117.077679
Nuclear repulsion energy	75.592696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3158	3158	0.00
2	A₁'	1560	1560	0.00
3	A₁'	1239	1239	0.00
4	A₁"	1180	1180	0.00
5	A₂'	1103	1103	0.00
6	A₂"	3247	3247	40.03
7	A₂"	867	867	0.31
8	E'	3146	3146	23.94
8	E'	3146	3146	23.94
9	E'	1501	1501	2.34
9	E'	1501	1501	2.34
10	E'	1092	1092	10.17
10	E'	1092	1092	10.17
11	E'	912	912	21.73
11	E'	912	912	21.73
12	E"	3227	3227	0.00
12	E"	3227	3227	0.00
13	E"	1238	1238	0.00
13	E"	1238	1238	0.00
14	E"	763	763	0.00
14	E"	763	763	0.00

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	1.460	0.913
H5	1.264	-0.730	0.913
H6	-1.264	-0.730	0.913
H7	0.000	1.460	-0.913
H8	1.264	-0.730	-0.913
H9	-1.264	-0.730	-0.913

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5093	1.5093	1.0862	2.2352	2.2352	1.0862	2.2352	2.2352
C2	1.5093		1.5093	2.2352	1.0862	2.2352	2.2352	1.0862	2.2352
C3	1.5093	1.5093		2.2352	2.2352	1.0862	2.2352	2.2352	1.0862
H4	1.0862	2.2352	2.2352		2.5283	2.5283	1.8262	3.1189	3.1189
H5	2.2352	1.0862	2.2352	2.5283		2.5283	3.1189	1.8262	3.1189
H6	2.2352	2.2352	1.0862	2.5283	2.5283		3.1189	3.1189	1.8262
H7	1.0862	2.2352	2.2352	1.8262	3.1189	3.1189		2.5283	2.5283
H8	2.2352	1.0862	2.2352	3.1189	1.8262	3.1189	2.5283		2.5283
H9	2.2352	2.2352	1.0862	3.1189	3.1189	1.8262	2.5283	2.5283

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.973
C1	C2	H8	117.973	C1	C3	C2	60.000
C1	C3	H6	117.973	C1	C3	H9	117.973
C2	C1	C3	60.000	C2	C1	H4	117.973
C2	C1	H7	117.973	C2	C3	H6	117.973
C2	C3	H9	117.973	C3	C1	H4	117.973
C3	C1	H7	117.973	C3	C2	H5	117.973
C3	C2	H8	117.973	H4	C1	H7	114.413
H5	C2	H8	114.413	H6	C3	H9	114.413

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CCSD=FULL/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)