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	hartrees
Energy at 0K	-20.139777
Energy at 298.15K	-20.146126
HF Energy	-19.855179
Nuclear repulsion energy	41.781550

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3112	2935	0.00
2	A₁'	1525	1439	0.00
3	A₁'	1183	1116	0.00
4	A₁"	1158	1092	0.00
5	A₂'	1118	1055	0.00
6	A₂"	3215	3032	105.01
7	A₂"	854	806	2.24
8	E'	3095	2919	40.99
8	E'	3095	2919	40.99
9	E'	1474	1390	1.92
9	E'	1474	1390	1.92
10	E'	1109	1046	13.87
10	E'	1109	1046	13.87
11	E'	849	801	25.54
11	E'	849	801	25.54
12	E"	3192	3011	0.00
12	E"	3192	3011	0.00
13	E"	1208	1139	0.00
13	E"	1208	1139	0.00
14	E"	764	720	0.00
14	E"	764	720	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.906	0.000
C2	0.784	-0.453	0.000
C3	-0.784	-0.453	0.000
H4	0.000	1.502	0.930
H5	1.301	-0.751	0.930
H6	-1.301	-0.751	0.930
H7	0.000	1.502	-0.930
H8	1.301	-0.751	-0.930
H9	-1.301	-0.751	-0.930

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5687	1.5687	1.1050	2.3027	2.3027	1.1050	2.3027	2.3027
C2	1.5687		1.5687	2.3027	1.1050	2.3027	2.3027	1.1050	2.3027
C3	1.5687	1.5687		2.3027	2.3027	1.1050	2.3027	2.3027	1.1050
H4	1.1050	2.3027	2.3027		2.6017	2.6017	1.8605	3.1985	3.1985
H5	2.3027	1.1050	2.3027	2.6017		2.6017	3.1985	1.8605	3.1985
H6	2.3027	2.3027	1.1050	2.6017	2.6017		3.1985	3.1985	1.8605
H7	1.1050	2.3027	2.3027	1.8605	3.1985	3.1985		2.6017	2.6017
H8	2.3027	1.1050	2.3027	3.1985	1.8605	3.1985	2.6017		2.6017
H9	2.3027	2.3027	1.1050	3.1985	3.1985	1.8605	2.6017	2.6017

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.866
C1	C2	H8	117.866	C1	C3	C2	60.000
C1	C3	H6	117.866	C1	C3	H9	117.866
C2	C1	C3	60.000	C2	C1	H4	117.866
C2	C1	H7	117.866	C2	C3	H6	117.866
C2	C3	H9	117.866	C3	C1	H4	117.866
C3	C1	H7	117.866	C3	C2	H5	117.866
C3	C2	H8	117.866	H4	C1	H7	114.672
H5	C2	H8	114.672	H6	C3	H9	114.672

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CCD/CEP-31G

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: CCD/CEP-31G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)