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	hartrees
Energy at 0K	-117.476298
Energy at 298.15K	-117.482745
HF Energy	-117.078153
Nuclear repulsion energy	75.880403

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3223	2982	0.00
2	A₁'	1595	1476	0.00
3	A₁'	1263	1169	0.00
4	A₁"	1206	1116	0.00
5	A₂'	1134	1049	0.00
6	A₂"	3313	3065	42.89
7	A₂"	883	817	0.26
8	E'	3209	2969	25.52
8	E'	3209	2969	25.52
9	E'	1533	1419	2.12
9	E'	1533	1419	2.12
10	E'	1117	1033	8.64
10	E'	1117	1033	8.64
11	E'	931	861	23.93
11	E'	931	861	23.93
12	E"	3292	3046	0.00
12	E"	3292	3046	0.00
13	E"	1265	1170	0.00
13	E"	1265	1170	0.00
14	E"	777	719	0.00
14	E"	777	719	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.869	0.000
C2	0.752	-0.434	0.000
C3	-0.752	-0.434	0.000
H4	0.000	1.454	0.909
H5	1.259	-0.727	0.909
H6	-1.259	-0.727	0.909
H7	0.000	1.454	-0.909
H8	1.259	-0.727	-0.909
H9	-1.259	-0.727	-0.909

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5043	1.5043	1.0811	2.2267	2.2267	1.0811	2.2267	2.2267
C2	1.5043		1.5043	2.2267	1.0811	2.2267	2.2267	1.0811	2.2267
C3	1.5043	1.5043		2.2267	2.2267	1.0811	2.2267	2.2267	1.0811
H4	1.0811	2.2267	2.2267		2.5190	2.5190	1.8172	3.1060	3.1060
H5	2.2267	1.0811	2.2267	2.5190		2.5190	3.1060	1.8172	3.1060
H6	2.2267	2.2267	1.0811	2.5190	2.5190		3.1060	3.1060	1.8172
H7	1.0811	2.2267	2.2267	1.8172	3.1060	3.1060		2.5190	2.5190
H8	2.2267	1.0811	2.2267	3.1060	1.8172	3.1060	2.5190		2.5190
H9	2.2267	2.2267	1.0811	3.1060	3.1060	1.8172	2.5190	2.5190

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.988
C1	C2	H8	117.988	C1	C3	C2	60.000
C1	C3	H6	117.988	C1	C3	H9	117.988
C2	C1	C3	60.000	C2	C1	H4	117.988
C2	C1	H7	117.988	C2	C3	H6	117.988
C2	C3	H9	117.988	C3	C1	H4	117.988
C3	C1	H7	117.988	C3	C2	H5	117.988
C3	C2	H8	117.988	H4	C1	H7	114.376
H5	C2	H8	114.376	H6	C3	H9	114.376

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CISD/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: CISD/6-311G*

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)