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	hartrees
Energy at 0K	-20.279130
Energy at 298.15K
HF Energy	-19.911247
Nuclear repulsion energy	42.481849

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁'	3198	3036	0.00	250.82	0.05	0.10
2	A₁'	1563	1484	0.00	12.04	0.26	0.41
3	A₁'	1233	1170	0.00	34.86	0.12	0.21
4	A₁"	1170	1111	0.00	0.00	0.73	0.84
5	A₂'	1063	1010	0.00	0.00	0.00	0.00
6	A₂"	3311	3144	46.35	0.00	0.00	0.00
7	A₂"	855	811	1.94	0.00	0.75	0.86
8	E'	3187	3026	25.41	17.17	0.75	0.86
8	E'	3187	3026	25.41	17.17	0.75	0.86
9	E'	1485	1410	1.45	3.65	0.75	0.86
9	E'	1485	1410	1.45	3.65	0.75	0.86
10	E'	1067	1013	13.63	1.59	0.75	0.86
10	E'	1067	1013	13.63	1.59	0.75	0.86
11	E'	896	851	25.50	16.16	0.75	0.86
11	E'	896	851	25.50	16.16	0.75	0.86
12	E"	3292	3125	0.00	68.58	0.75	0.86
12	E"	3292	3125	0.00	68.58	0.75	0.86
13	E"	1212	1151	0.00	8.67	0.75	0.86
13	E"	1212	1151	0.00	8.67	0.75	0.86
14	E"	737	699	0.00	0.57	0.75	0.86
14	E"	737	699	0.00	0.57	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.887	0.000
C2	0.768	-0.443	0.000
C3	-0.768	-0.443	0.000
H4	0.000	1.471	0.926
H5	1.274	-0.736	0.926
H6	-1.274	-0.736	0.926
H7	0.000	1.471	-0.926
H8	1.274	-0.736	-0.926
H9	-1.274	-0.736	-0.926

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5355	1.5355	1.0952	2.2612	2.2612	1.0952	2.2612	2.2612
C2	1.5355		1.5355	2.2612	1.0952	2.2612	2.2612	1.0952	2.2612
C3	1.5355	1.5355		2.2612	2.2612	1.0952	2.2612	2.2612	1.0952
H4	1.0952	2.2612	2.2612		2.5487	2.5487	1.8518	3.1504	3.1504
H5	2.2612	1.0952	2.2612	2.5487		2.5487	3.1504	1.8518	3.1504
H6	2.2612	2.2612	1.0952	2.5487	2.5487		3.1504	3.1504	1.8518
H7	1.0952	2.2612	2.2612	1.8518	3.1504	3.1504		2.5487	2.5487
H8	2.2612	1.0952	2.2612	3.1504	1.8518	3.1504	2.5487		2.5487
H9	2.2612	2.2612	1.0952	3.1504	3.1504	1.8518	2.5487	2.5487

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.551
C1	C2	H8	117.551	C1	C3	C2	60.000
C1	C3	H6	117.551	C1	C3	H9	117.551
C2	C1	C3	60.000	C2	C1	H4	117.551
C2	C1	H7	117.551	C2	C3	H6	117.551
C2	C3	H9	117.551	C3	C1	H4	117.551
C3	C1	H7	117.551	C3	C2	H5	117.551
C3	C2	H8	117.551	H4	C1	H7	115.436
H5	C2	H8	115.436	H6	C3	H9	115.436

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: MP2/CEP-31G*

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: MP2/CEP-31G*

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)