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	hartrees
Energy at 0K	-117.591472
Energy at 298.15K	-117.597876
HF Energy	-117.074510
Nuclear repulsion energy	75.813937

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3209	3040	0.00
2	A₁'	1555	1473	0.00
3	A₁'	1243	1178	0.00
4	A₁"	1184	1121	0.00
5	A₂'	1118	1059	0.00
6	A₂"	3303	3129	20.38
7	A₂"	866	821	0.27
8	E'	3199	3030	15.92
8	E'	3199	3030	15.92
9	E'	1500	1421	0.45
9	E'	1500	1421	0.45
10	E'	1093	1036	6.36
10	E'	1093	1036	6.36
11	E'	925	876	16.26
11	E'	925	876	16.26
12	E"	3285	3111	0.00
12	E"	3285	3111	0.00
13	E"	1237	1171	0.00
13	E"	1237	1171	0.00
14	E"	751	711	0.00
14	E"	751	711	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.869	0.000
C2	0.753	-0.435	0.000
C3	-0.753	-0.435	0.000
H4	0.000	1.455	0.910
H5	1.260	-0.727	0.910
H6	-1.260	-0.727	0.910
H7	0.000	1.455	-0.910
H8	1.260	-0.727	-0.910
H9	-1.260	-0.727	-0.910

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5059	1.5059	1.0818	2.2283	2.2283	1.0818	2.2283	2.2283
C2	1.5059		1.5059	2.2283	1.0818	2.2283	2.2283	1.0818	2.2283
C3	1.5059	1.5059		2.2283	2.2283	1.0818	2.2283	2.2283	1.0818
H4	1.0818	2.2283	2.2283		2.5199	2.5199	1.8194	3.1081	3.1081
H5	2.2283	1.0818	2.2283	2.5199		2.5199	3.1081	1.8194	3.1081
H6	2.2283	2.2283	1.0818	2.5199	2.5199		3.1081	3.1081	1.8194
H7	1.0818	2.2283	2.2283	1.8194	3.1081	3.1081		2.5199	2.5199
H8	2.2283	1.0818	2.2283	3.1081	1.8194	3.1081	2.5199		2.5199
H9	2.2283	2.2283	1.0818	3.1081	3.1081	1.8194	2.5199	2.5199

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.948
C1	C2	H8	117.948	C1	C3	C2	60.000
C1	C3	H6	117.948	C1	C3	H9	117.948
C2	C1	C3	60.000	C2	C1	H4	117.948
C2	C1	H7	117.948	C2	C3	H6	117.948
C2	C3	H9	117.948	C3	C1	H4	117.948
C3	C1	H7	117.948	C3	C2	H5	117.948
C3	C2	H8	117.948	H4	C1	H7	114.473
H5	C2	H8	114.473	H6	C3	H9	114.473

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CCD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)