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	hartrees
Energy at 0K	-20.355977
Energy at 298.15K	-20.362347
HF Energy	-19.922017
Nuclear repulsion energy	42.750434

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3142	2963	0.00
2	A₁'	1549	1461	0.00
3	A₁'	1212	1143	0.00
4	A₁"	1180	1113	0.00
5	A₂'	1092	1030	0.00
6	A₂"	3238	3053	50.07
7	A₂"	852	803	0.16
8	E'	3129	2951	29.16
8	E'	3129	2951	29.16
9	E'	1492	1407	0.56
9	E'	1492	1407	0.56
10	E'	1093	1031	8.86
10	E'	1093	1031	8.86
11	E'	892	842	23.81
11	E'	892	842	23.81
12	E"	3218	3035	0.00
12	E"	3218	3035	0.00
13	E"	1226	1157	0.00
13	E"	1226	1157	0.00
14	E"	750	708	0.00
14	E"	750	708	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.880	0.000
C2	0.762	-0.440	0.000
C3	-0.762	-0.440	0.000
H4	0.000	1.467	0.917
H5	1.270	-0.733	0.917
H6	-1.270	-0.733	0.917
H7	0.000	1.467	-0.917
H8	1.270	-0.733	-0.917
H9	-1.270	-0.733	-0.917

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5241	1.5241	1.0890	2.2490	2.2490	1.0890	2.2490	2.2490
C2	1.5241		1.5241	2.2490	1.0890	2.2490	2.2490	1.0890	2.2490
C3	1.5241	1.5241		2.2490	2.2490	1.0890	2.2490	2.2490	1.0890
H4	1.0890	2.2490	2.2490		2.5406	2.5406	1.8348	3.1338	3.1338
H5	2.2490	1.0890	2.2490	2.5406		2.5406	3.1338	1.8348	3.1338
H6	2.2490	2.2490	1.0890	2.5406	2.5406		3.1338	3.1338	1.8348
H7	1.0890	2.2490	2.2490	1.8348	3.1338	3.1338		2.5406	2.5406
H8	2.2490	1.0890	2.2490	3.1338	1.8348	3.1338	2.5406		2.5406
H9	2.2490	2.2490	1.0890	3.1338	3.1338	1.8348	2.5406	2.5406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.820
C1	C2	H8	117.820	C1	C3	C2	60.000
C1	C3	H6	117.820	C1	C3	H9	117.820
C2	C1	C3	60.000	C2	C1	H4	117.820
C2	C1	H7	117.820	C2	C3	H6	117.820
C2	C3	H9	117.820	C3	C1	H4	117.820
C3	C1	H7	117.820	C3	C2	H5	117.820
C3	C2	H8	117.820	H4	C1	H7	114.784
H5	C2	H8	114.784	H6	C3	H9	114.784

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CCSD/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: CCSD/CEP-121G*

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)