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	hartrees
Energy at 0K	-20.174791
Energy at 298.15K	-20.181179
HF Energy	-19.864730
Nuclear repulsion energy	42.116129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3057	2883	0.00
2	A₁'	1512	1426	0.00
3	A₁'	1173	1106	0.00
4	A₁"	1177	1110	0.00
5	A₂'	1127	1063	0.00
6	A₂"	3159	2980	64.80
7	A₂"	847	799	0.15
8	E'	3038	2865	30.34
8	E'	3038	2865	30.34
9	E'	1477	1393	0.98
9	E'	1477	1393	0.98
10	E'	1128	1064	12.49
10	E'	1128	1064	12.49
11	E'	846	798	26.34
11	E'	846	798	26.34
12	E"	3136	2958	0.00
12	E"	3136	2958	0.00
13	E"	1218	1149	0.00
13	E"	1218	1149	0.00
14	E"	772	728	0.00
14	E"	772	728	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.899	0.000
C2	0.778	-0.449	0.000
C3	-0.778	-0.449	0.000
H4	0.000	1.490	0.923
H5	1.290	-0.745	0.923
H6	-1.290	-0.745	0.923
H7	0.000	1.490	-0.923
H8	1.290	-0.745	-0.923
H9	-1.290	-0.745	-0.923

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5569	1.5569	1.0958	2.2842	2.2842	1.0958	2.2842	2.2842
C2	1.5569		1.5569	2.2842	1.0958	2.2842	2.2842	1.0958	2.2842
C3	1.5569	1.5569		2.2842	2.2842	1.0958	2.2842	2.2842	1.0958
H4	1.0958	2.2842	2.2842		2.5799	2.5799	1.8460	3.1723	3.1723
H5	2.2842	1.0958	2.2842	2.5799		2.5799	3.1723	1.8460	3.1723
H6	2.2842	2.2842	1.0958	2.5799	2.5799		3.1723	3.1723	1.8460
H7	1.0958	2.2842	2.2842	1.8460	3.1723	3.1723		2.5799	2.5799
H8	2.2842	1.0958	2.2842	3.1723	1.8460	3.1723	2.5799		2.5799
H9	2.2842	2.2842	1.0958	3.1723	3.1723	1.8460	2.5799	2.5799

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.825
C1	C2	H8	117.825	C1	C3	C2	60.000
C1	C3	H6	117.825	C1	C3	H9	117.825
C2	C1	C3	60.000	C2	C1	H4	117.825
C2	C1	H7	117.825	C2	C3	H6	117.825
C2	C3	H9	117.825	C3	C1	H4	117.825
C3	C1	H7	117.825	C3	C2	H5	117.825
C3	C2	H8	117.825	H4	C1	H7	114.770
H5	C2	H8	114.770	H6	C3	H9	114.770

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)