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	hartrees
Energy at 0K	-117.565203
Energy at 298.15K	-117.571515
HF Energy	-117.069650
Nuclear repulsion energy	74.875391

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3141	3071
2	A₁'	1506	1473
3	A₁'	1201	1175
4	A₁"	1136	1111
5	A₂'	1050	1027
6	A₂"	3237	3165
7	A₂"	837	818
8	E'	3128	3058
8	E'	3128	3058
9	E'	1453	1421
9	E'	1453	1421
10	E'	1031	1008
10	E'	1031	1008
11	E'	876	856
11	E'	875	856
12	E"	3216	3145
12	E"	3216	3144
13	E"	1194	1167
13	E"	1193	1167
14	E"	722	706
14	E"	721	705

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.881	0.000
C2	0.763	-0.440	0.000
C3	-0.763	-0.440	0.000
H4	0.000	1.470	0.923
H5	1.273	-0.735	0.923
H6	-1.273	-0.735	0.923
H7	0.000	1.470	-0.923
H8	1.273	-0.735	-0.923
H9	-1.273	-0.735	-0.923

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5257	1.5257	1.0949	2.2546	2.2546	1.0949	2.2546	2.2546
C2	1.5257		1.5257	2.2546	1.0949	2.2546	2.2546	1.0949	2.2546
C3	1.5257	1.5257		2.2546	2.2546	1.0949	2.2546	2.2546	1.0949
H4	1.0949	2.2546	2.2546		2.5460	2.5460	1.8460	3.1448	3.1448
H5	2.2546	1.0949	2.2546	2.5460		2.5460	3.1448	1.8460	3.1448
H6	2.2546	2.2546	1.0949	2.5460	2.5460		3.1448	3.1448	1.8460
H7	1.0949	2.2546	2.2546	1.8460	3.1448	3.1448		2.5460	2.5460
H8	2.2546	1.0949	2.2546	3.1448	1.8460	3.1448	2.5460		2.5460
H9	2.2546	2.2546	1.0949	3.1448	3.1448	1.8460	2.5460	2.5460

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.769
C1	C2	H8	117.769	C1	C3	C2	60.000
C1	C3	H6	117.769	C1	C3	H9	117.769
C2	C1	C3	60.000	C2	C1	H4	117.769
C2	C1	H7	117.769	C2	C3	H6	117.769
C2	C3	H9	117.769	C3	C1	H4	117.769
C3	C1	H7	117.769	C3	C2	H5	117.769
C3	C2	H8	117.769	H4	C1	H7	114.907
H5	C2	H8	114.907	H6	C3	H9	114.907

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: QCISD(T)/aug-cc-pVDZ

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(T)/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)