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	hartrees
Energy at 0K	-117.512280
Energy at 298.15K
HF Energy	-117.070966
Nuclear repulsion energy	75.230017

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'	3184	3184	0.00	322.68	0.02	0.04
2	A₁'	1514	1514	0.00	3.92	0.06	0.11
3	A₁'	1224	1224	0.00	49.33	0.05	0.10
4	A₁"	1146	1146	0.00	0.00	0.75	0.86
5	A₂'	1044	1044	0.00	0.00	0.75	0.86
6	A₂"	3291	3291	21.24	0.00	0.75	0.86
7	A₂"	847	847	0.27	0.00	0.75	0.86
8	E'	3173	3173	16.59	23.25	0.75	0.86
8	E'	3173	3173	16.59	23.25	0.75	0.86
9	E'	1460	1460	0.52	3.96	0.75	0.86
9	E'	1460	1460	0.52	3.96	0.75	0.86
10	E'	1020	1020	9.76	1.14	0.75	0.86
10	E'	1020	1020	9.76	1.14	0.75	0.86
11	E'	894	894	19.25	7.65	0.75	0.86
11	E'	894	894	19.25	7.65	0.75	0.86
12	E"	3271	3271	0.00	87.04	0.75	0.86
12	E"	3271	3271	0.00	87.04	0.75	0.86
13	E"	1200	1200	0.00	1.11	0.75	0.86
13	E"	1200	1200	0.00	1.11	0.75	0.86
14	E"	725	725	0.00	0.31	0.75	0.86
14	E"	725	725	0.00	0.31	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.877	0.000
C2	0.759	-0.438	0.000
C3	-0.759	-0.438	0.000
H4	0.000	1.461	0.921
H5	1.265	-0.730	0.921
H6	-1.265	-0.730	0.921
H7	0.000	1.461	-0.921
H8	1.265	-0.730	-0.921
H9	-1.265	-0.730	-0.921

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5184	1.5184	1.0903	2.2430	2.2430	1.0903	2.2430	2.2430
C2	1.5184		1.5184	2.2430	1.0903	2.2430	2.2430	1.0903	2.2430
C3	1.5184	1.5184		2.2430	2.2430	1.0903	2.2430	2.2430	1.0903
H4	1.0903	2.2430	2.2430		2.5304	2.5304	1.8411	3.1293	3.1293
H5	2.2430	1.0903	2.2430	2.5304		2.5304	3.1293	1.8411	3.1293
H6	2.2430	2.2430	1.0903	2.5304	2.5304		3.1293	3.1293	1.8411
H7	1.0903	2.2430	2.2430	1.8411	3.1293	3.1293		2.5304	2.5304
H8	2.2430	1.0903	2.2430	3.1293	1.8411	3.1293	2.5304		2.5304
H9	2.2430	2.2430	1.0903	3.1293	3.1293	1.8411	2.5304	2.5304

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.650
C1	C2	H8	117.650	C1	C3	C2	60.000
C1	C3	H6	117.650	C1	C3	H9	117.650
C2	C1	C3	60.000	C2	C1	H4	117.650
C2	C1	H7	117.650	C2	C3	H6	117.650
C2	C3	H9	117.650	C3	C1	H4	117.650
C3	C1	H7	117.650	C3	C2	H5	117.650
C3	C2	H8	117.650	H4	C1	H7	115.196
H5	C2	H8	115.196	H6	C3	H9	115.196

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: MP2/daug-cc-pVDZ

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/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)