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	hartrees
Energy at 0K	-117.685405
Energy at 298.15K	-117.691787
HF Energy	-117.099740
Nuclear repulsion energy	76.165497

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3190	3190	0.00
2	A₁'	1537	1537	0.00
3	A₁'	1242	1242	0.00
4	A₁"	1172	1172	0.00
5	A₂'	1091	1091	0.00
6	A₂"	3293	3293	14.65
7	A₂"	870	870	0.40
8	E'	3181	3181	12.84
8	E'	3181	3181	12.84
9	E'	1486	1486	1.03
9	E'	1486	1486	1.03
10	E'	1055	1055	10.22
10	E'	1055	1055	10.22
11	E'	917	917	19.93
11	E'	917	917	19.93
12	E"	3275	3275	0.00
12	E"	3275	3275	0.00
13	E"	1222	1222	0.00
13	E"	1222	1222	0.00
14	E"	748	748	0.00
14	E"	748	748	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.865	0.000
C2	0.749	-0.433	0.000
C3	-0.749	-0.433	0.000
H4	0.000	1.445	0.909
H5	1.252	-0.723	0.909
H6	-1.252	-0.723	0.909
H7	0.000	1.445	-0.909
H8	1.252	-0.723	-0.909
H9	-1.252	-0.723	-0.909

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4987	1.4987	1.0778	2.2166	2.2166	1.0778	2.2166	2.2166
C2	1.4987		1.4987	2.2166	1.0778	2.2166	2.2166	1.0778	2.2166
C3	1.4987	1.4987		2.2166	2.2166	1.0778	2.2166	2.2166	1.0778
H4	1.0778	2.2166	2.2166		2.5032	2.5032	1.8171	3.0932	3.0932
H5	2.2166	1.0778	2.2166	2.5032		2.5032	3.0932	1.8171	3.0932
H6	2.2166	2.2166	1.0778	2.5032	2.5032		3.0932	3.0932	1.8171
H7	1.0778	2.2166	2.2166	1.8171	3.0932	3.0932		2.5032	2.5032
H8	2.2166	1.0778	2.2166	3.0932	1.8171	3.0932	2.5032		2.5032
H9	2.2166	2.2166	1.0778	3.0932	3.0932	1.8171	2.5032	2.5032

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.773
C1	C2	H8	117.773	C1	C3	C2	60.000
C1	C3	H6	117.773	C1	C3	H9	117.773
C2	C1	C3	60.000	C2	C1	H4	117.773
C2	C1	H7	117.773	C2	C3	H6	117.773
C2	C3	H9	117.773	C3	C1	H4	117.773
C3	C1	H7	117.773	C3	C2	H5	117.773
C3	C2	H8	117.773	H4	C1	H7	114.897
H5	C2	H8	114.897	H6	C3	H9	114.897

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: MP2=FULL/6-311+G(3df,2pd)

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=FULL/6-311+G(3df,2pd)

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)