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	hartrees
Energy at 0K	-117.534341
Energy at 298.15K	-117.540792
HF Energy	-117.074787
Nuclear repulsion energy	76.137446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3261	3261	0.00
2	A₁'	1589	1589	0.00
3	A₁'	1268	1268	0.00
4	A₁"	1210	1210	0.00
5	A₂'	1150	1150	0.00
6	A₂"	3354	3354	23.71
7	A₂"	883	883	0.26
8	E'	3249	3249	18.86
8	E'	3249	3249	18.86
9	E'	1531	1531	0.43
9	E'	1531	1531	0.43
10	E'	1122	1122	5.54
10	E'	1122	1122	5.54
11	E'	944	944	18.01
11	E'	944	944	18.01
12	E"	3334	3334	0.00
12	E"	3334	3334	0.00
13	E"	1263	1263	0.00
13	E"	1263	1263	0.00
14	E"	765	765	0.00
14	E"	765	765	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.866	0.000
C2	0.750	-0.433	0.000
C3	-0.750	-0.433	0.000
H4	0.000	1.450	0.905
H5	1.255	-0.725	0.905
H6	-1.255	-0.725	0.905
H7	0.000	1.450	-0.905
H8	1.255	-0.725	-0.905
H9	-1.255	-0.725	-0.905

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4993	1.4993	1.0773	2.2192	2.2192	1.0773	2.2192	2.2192
C2	1.4993		1.4993	2.2192	1.0773	2.2192	2.2192	1.0773	2.2192
C3	1.4993	1.4993		2.2192	2.2192	1.0773	2.2192	2.2192	1.0773
H4	1.0773	2.2192	2.2192		2.5106	2.5106	1.8107	3.0955	3.0955
H5	2.2192	1.0773	2.2192	2.5106		2.5106	3.0955	1.8107	3.0955
H6	2.2192	2.2192	1.0773	2.5106	2.5106		3.0955	3.0955	1.8107
H7	1.0773	2.2192	2.2192	1.8107	3.0955	3.0955		2.5106	2.5106
H8	2.2192	1.0773	2.2192	3.0955	1.8107	3.0955	2.5106		2.5106
H9	2.2192	2.2192	1.0773	3.0955	3.0955	1.8107	2.5106	2.5106

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.994
C1	C2	H8	117.994	C1	C3	C2	60.000
C1	C3	H6	117.994	C1	C3	H9	117.994
C2	C1	C3	60.000	C2	C1	H4	117.994
C2	C1	H7	117.994	C2	C3	H6	117.994
C2	C3	H9	117.994	C3	C1	H4	117.994
C3	C1	H7	117.994	C3	C2	H5	117.994
C3	C2	H8	117.994	H4	C1	H7	114.362
H5	C2	H8	114.362	H6	C3	H9	114.362

All results from a given calculation for C₃H₆ (Cyclopropane)

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

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)