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	hartrees
Energy at 0K	-20.370455
Energy at 298.15K	-20.376800
HF Energy	-19.921661
Nuclear repulsion energy	42.670115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3123	3123
2	A₁'	1535	1535
3	A₁'	1198	1198
4	A₁"	1171	1171
5	A₂'	1075	1075
6	A₂"	3220	3220
7	A₂"	844	844
8	E'	3111	3111
8	E'	3111	3111
9	E'	1481	1481
9	E'	1481	1481
10	E'	1083	1083
10	E'	1083	1083
11	E'	879	879
11	E'	879	879
12	E"	3201	3201
12	E"	3200	3200
13	E"	1217	1217
13	E"	1217	1217
14	E"	744	744
14	E"	743	743

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.882	0.000
C2	0.764	-0.441	0.000
C3	-0.764	-0.441	0.000
H4	0.000	1.469	0.919
H5	1.272	-0.734	0.919
H6	-1.272	-0.734	0.919
H7	0.000	1.469	-0.919
H8	1.272	-0.734	-0.919
H9	-1.272	-0.734	-0.919

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5281	1.5281	1.0904	2.2531	2.2531	1.0904	2.2531	2.2531
C2	1.5281		1.5281	2.2531	1.0904	2.2531	2.2531	1.0904	2.2531
C3	1.5281	1.5281		2.2531	2.2531	1.0904	2.2531	2.2531	1.0904
H4	1.0904	2.2531	2.2531		2.5441	2.5441	1.8384	3.1388	3.1388
H5	2.2531	1.0904	2.2531	2.5441		2.5441	3.1388	1.8384	3.1388
H6	2.2531	2.2531	1.0904	2.5441	2.5441		3.1388	3.1388	1.8384
H7	1.0904	2.2531	2.2531	1.8384	3.1388	3.1388		2.5441	2.5441
H8	2.2531	1.0904	2.2531	3.1388	1.8384	3.1388	2.5441		2.5441
H9	2.2531	2.2531	1.0904	3.1388	3.1388	1.8384	2.5441	2.5441

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.768
C1	C2	H8	117.768	C1	C3	C2	60.000
C1	C3	H6	117.768	C1	C3	H9	117.768
C2	C1	C3	60.000	C2	C1	H4	117.768
C2	C1	H7	117.768	C2	C3	H6	117.768
C2	C3	H9	117.768	C3	C1	H4	117.768
C3	C1	H7	117.768	C3	C2	H5	117.768
C3	C2	H8	117.768	H4	C1	H7	114.910
H5	C2	H8	114.910	H6	C3	H9	114.910

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: QCISD(TQ)/CEP-121G*

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: QCISD(TQ)/CEP-121G*

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)