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	hartrees
Energy at 0K	-20.141941
Energy at 298.15K	-20.148389
HF Energy	-19.866458
Nuclear repulsion energy	42.384721

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3136	2898	0.00
2	A₁'	1550	1432	0.00
3	A₁'	1211	1119	0.00
4	A₁"	1204	1112	0.00
5	A₂'	1163	1074	0.00
6	A₂"	3237	2991	65.54
7	A₂"	867	801	0.15
8	E'	3112	2876	30.30
8	E'	3112	2876	30.30
9	E'	1511	1397	1.39
9	E'	1511	1397	1.39
10	E'	1151	1064	11.60
10	E'	1151	1064	11.60
11	E'	879	812	30.02
11	E'	879	812	30.02
12	E"	3213	2969	0.00
12	E"	3213	2969	0.00
13	E"	1248	1153	0.00
13	E"	1248	1153	0.00
14	E"	790	730	0.00
14	E"	790	730	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.893	0.000
C2	0.773	-0.446	0.000
C3	-0.773	-0.446	0.000
H4	0.000	1.481	0.917
H5	1.283	-0.741	0.917
H6	-1.283	-0.741	0.917
H7	0.000	1.481	-0.917
H8	1.283	-0.741	-0.917
H9	-1.283	-0.741	-0.917

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5464	1.5464	1.0893	2.2701	2.2701	1.0893	2.2701	2.2701
C2	1.5464		1.5464	2.2701	1.0893	2.2701	2.2701	1.0893	2.2701
C3	1.5464	1.5464		2.2701	2.2701	1.0893	2.2701	2.2701	1.0893
H4	1.0893	2.2701	2.2701		2.5653	2.5653	1.8335	3.1532	3.1532
H5	2.2701	1.0893	2.2701	2.5653		2.5653	3.1532	1.8335	3.1532
H6	2.2701	2.2701	1.0893	2.5653	2.5653		3.1532	3.1532	1.8335
H7	1.0893	2.2701	2.2701	1.8335	3.1532	3.1532		2.5653	2.5653
H8	2.2701	1.0893	2.2701	3.1532	1.8335	3.1532	2.5653		2.5653
H9	2.2701	2.2701	1.0893	3.1532	3.1532	1.8335	2.5653	2.5653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.886
C1	C2	H8	117.886	C1	C3	C2	60.000
C1	C3	H6	117.886	C1	C3	H9	117.886
C2	C1	C3	60.000	C2	C1	H4	117.886
C2	C1	H7	117.886	C2	C3	H6	117.886
C2	C3	H9	117.886	C3	C1	H4	117.886
C3	C1	H7	117.886	C3	C2	H5	117.886
C3	C2	H8	117.886	H4	C1	H7	114.622
H5	C2	H8	114.622	H6	C3	H9	114.622

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CID/CEP-121G

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: CID/CEP-121G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)