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	hartrees
Energy at 0K	-117.547263
Energy at 298.15K
HF Energy	-117.077951
Nuclear repulsion energy	75.757495

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'	3193	3024	0.00	242.17	0.04	0.08
2	A₁'	1559	1477	0.00	2.36	0.67	0.80
3	A₁'	1248	1182	0.00	28.64	0.07	0.14
4	A₁"	1185	1123	0.00	0.00	0.25	0.40
5	A₂'	1091	1034	0.00	0.00	0.61	0.76
6	A₂"	3295	3121	27.45	0.00	0.74	0.85
7	A₂"	875	829	0.54	0.00	0.75	0.86
8	E'	3184	3015	18.04	21.25	0.75	0.86
8	E'	3184	3015	18.04	21.25	0.75	0.86
9	E'	1506	1426	2.89	6.44	0.75	0.86
9	E'	1506	1426	2.89	6.44	0.75	0.86
10	E'	1081	1024	14.72	0.30	0.75	0.86
10	E'	1081	1024	14.72	0.30	0.75	0.86
11	E'	918	869	20.85	12.35	0.75	0.86
11	E'	918	869	20.85	12.35	0.75	0.86
12	E"	3276	3103	0.00	90.06	0.75	0.86
12	E"	3276	3103	0.00	90.07	0.75	0.86
13	E"	1238	1173	0.00	5.89	0.75	0.86
13	E"	1238	1173	0.00	5.89	0.75	0.86
14	E"	765	725	0.00	1.37	0.75	0.86
14	E"	765	725	0.00	1.37	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.870	0.000
C2	0.753	-0.435	0.000
C3	-0.753	-0.435	0.000
H4	0.000	1.454	0.912
H5	1.259	-0.727	0.912
H6	-1.259	-0.727	0.912
H7	0.000	1.454	-0.912
H8	1.259	-0.727	-0.912
H9	-1.259	-0.727	-0.912

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5068	1.5068	1.0833	2.2291	2.2291	1.0833	2.2291	2.2291
C2	1.5068		1.5068	2.2291	1.0833	2.2291	2.2291	1.0833	2.2291
C3	1.5068	1.5068		2.2291	2.2291	1.0833	2.2291	2.2291	1.0833
H4	1.0833	2.2291	2.2291		2.5188	2.5188	1.8245	3.1101	3.1101
H5	2.2291	1.0833	2.2291	2.5188		2.5188	3.1101	1.8245	3.1101
H6	2.2291	2.2291	1.0833	2.5188	2.5188		3.1101	3.1101	1.8245
H7	1.0833	2.2291	2.2291	1.8245	3.1101	3.1101		2.5188	2.5188
H8	2.2291	1.0833	2.2291	3.1101	1.8245	3.1101	2.5188		2.5188
H9	2.2291	2.2291	1.0833	3.1101	3.1101	1.8245	2.5188	2.5188

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.844
C1	C2	H8	117.844	C1	C3	C2	60.000
C1	C3	H6	117.844	C1	C3	H9	117.844
C2	C1	C3	60.000	C2	C1	H4	117.844
C2	C1	H7	117.844	C2	C3	H6	117.844
C2	C3	H9	117.844	C3	C1	H4	117.844
C3	C1	H7	117.844	C3	C2	H5	117.844
C3	C2	H8	117.844	H4	C1	H7	114.725
H5	C2	H8	114.725	H6	C3	H9	114.725

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)