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	hartrees
Energy at 0K	-117.618344
Energy at 298.15K	-117.624717
HF Energy	-117.099619
Nuclear repulsion energy	75.997516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3188	3029	0.00
2	A₁'	1535	1458	0.00
3	A₁'	1233	1172	0.00
4	A₁"	1169	1111	0.00
5	A₂'	1088	1034	0.00
6	A₂"	3292	3127	15.25
7	A₂"	869	826	0.36
8	E'	3179	3020	13.14
8	E'	3179	3020	13.14
9	E'	1486	1412	0.83
9	E'	1486	1412	0.83
10	E'	1052	1000	10.44
10	E'	1052	1000	10.44
11	E'	908	863	19.35
11	E'	908	863	19.35
12	E"	3273	3110	0.00
12	E"	3273	3110	0.00
13	E"	1220	1159	0.00
13	E"	1220	1159	0.00
14	E"	747	710	0.00
14	E"	747	710	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.868	0.000
C2	0.752	-0.434	0.000
C3	-0.752	-0.434	0.000
H4	0.000	1.448	0.910
H5	1.254	-0.724	0.910
H6	-1.254	-0.724	0.910
H7	0.000	1.448	-0.910
H8	1.254	-0.724	-0.910
H9	-1.254	-0.724	-0.910

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5032	1.5032	1.0789	2.2210	2.2210	1.0789	2.2210	2.2210
C2	1.5032		1.5032	2.2209	1.0789	2.2209	2.2209	1.0789	2.2209
C3	1.5032	1.5032		2.2209	2.2209	1.0789	2.2209	2.2209	1.0789
H4	1.0789	2.2209	2.2209		2.5072	2.5072	1.8198	3.0980	3.0980
H5	2.2210	1.0789	2.2209	2.5072		2.5072	3.0980	1.8198	3.0980
H6	2.2210	2.2209	1.0789	2.5072	2.5072		3.0980	3.0980	1.8198
H7	1.0789	2.2209	2.2209	1.8198	3.0980	3.0980		2.5072	2.5072
H8	2.2210	1.0789	2.2209	3.0980	1.8198	3.0980	2.5072		2.5072
H9	2.2210	2.2209	1.0789	3.0980	3.0980	1.8198	2.5072	2.5072

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.731
C1	C2	H8	117.731	C1	C3	C2	60.000
C1	C3	H6	117.731	C1	C3	H9	117.731
C2	C1	C3	60.000	C2	C1	H4	117.731
C2	C1	H7	117.731	C2	C3	H6	117.731
C2	C3	H9	117.731	C3	C1	H4	117.731
C3	C1	H7	117.731	C3	C2	H5	117.731
C3	C2	H8	117.731	H4	C1	H7	114.999
H5	C2	H8	114.999	H6	C3	H9	114.999

All results from a given calculation for C₃H₆ (Cyclopropane)

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

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)