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	hartrees
Energy at 0K	-117.665504
Energy at 298.15K
HF Energy	-117.101476
Nuclear repulsion energy	76.264101

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'	3216	3053	0.00	274.92	0.03	0.06
2	A₁'	1544	1466	0.00	1.61	0.56	0.72
3	A₁'	1246	1183	0.00	35.57	0.06	0.12
4	A₁"	1176	1116	0.00	0.00	0.00	0.00
5	A₂'	1093	1038	0.00	0.00	0.00	0.00
6	A₂"	3301	3134	15.28	0.00	0.37	0.54
7	A₂"	875	831	0.43	0.00	0.75	0.85
8	E'	3207	3045	14.21	19.64	0.75	0.86
8	E'	3207	3045	14.21	19.64	0.75	0.86
9	E'	1494	1419	1.13	5.47	0.75	0.86
9	E'	1494	1419	1.13	5.47	0.75	0.86
10	E'	1061	1007	11.26	1.05	0.75	0.86
10	E'	1061	1007	11.26	1.05	0.75	0.86
11	E'	919	873	19.30	10.88	0.75	0.86
11	E'	919	873	19.30	10.88	0.75	0.86
12	E"	3282	3116	0.00	83.55	0.75	0.86
12	E"	3282	3116	0.00	83.55	0.75	0.86
13	E"	1226	1164	0.00	3.44	0.75	0.86
13	E"	1226	1164	0.00	3.44	0.75	0.86
14	E"	751	713	0.00	0.79	0.75	0.86
14	E"	751	713	0.00	0.79	0.75	0.86

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	1.442	0.907
H5	1.249	-0.721	0.907
H6	-1.249	-0.721	0.907
H7	0.000	1.442	-0.907
H8	1.249	-0.721	-0.907
H9	-1.249	-0.721	-0.907

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4985	1.4985	1.0744	2.2128	2.2128	1.0744	2.2128	2.2128
C2	1.4985		1.4985	2.2128	1.0744	2.2128	2.2128	1.0744	2.2128
C3	1.4985	1.4985		2.2128	2.2128	1.0744	2.2128	2.2128	1.0744
H4	1.0744	2.2128	2.2128		2.4973	2.4973	1.8132	3.0861	3.0861
H5	2.2128	1.0744	2.2128	2.4973		2.4973	3.0861	1.8132	3.0861
H6	2.2128	2.2128	1.0744	2.4973	2.4973		3.0861	3.0861	1.8132
H7	1.0744	2.2128	2.2128	1.8132	3.0861	3.0861		2.4973	2.4973
H8	2.2128	1.0744	2.2128	3.0861	1.8132	3.0861	2.4973		2.4973
H9	2.2128	2.2128	1.0744	3.0861	3.0861	1.8132	2.4973	2.4973

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.697
C1	C2	H8	117.697	C1	C3	C2	60.000
C1	C3	H6	117.697	C1	C3	H9	117.697
C2	C1	C3	60.000	C2	C1	H4	117.697
C2	C1	H7	117.697	C2	C3	H6	117.697
C2	C3	H9	117.697	C3	C1	H4	117.697
C3	C1	H7	117.697	C3	C2	H5	117.697
C3	C2	H8	117.697	H4	C1	H7	115.082
H5	C2	H8	115.082	H6	C3	H9	115.082

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)