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	hartrees
Energy at 0K	-117.678142
Energy at 298.15K	-117.684486
HF Energy	-117.101505
Nuclear repulsion energy	75.660691

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3151	3046
2	A₁'	1524	1474
3	A₁'	1208	1168
4	A₁"	1152	1114
5	A₂'	1077	1041
6	A₂"	3242	3135
7	A₂"	846	818
8	E'	3140	3036
8	E'	3140	3035
9	E'	1474	1425
9	E'	1474	1425
10	E'	1047	1012
10	E'	1047	1012
11	E'	887	857
11	E'	886	857
12	E"	3222	3115
12	E"	3222	3115
13	E"	1209	1168
13	E"	1208	1168
14	E"	731	707
14	E"	731	707

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.872	0.000
C2	0.756	-0.436	0.000
C3	-0.756	-0.436	0.000
H4	0.000	1.454	0.912
H5	1.259	-0.727	0.912
H6	-1.259	-0.727	0.912
H7	0.000	1.454	-0.912
H8	1.259	-0.727	-0.912
H9	-1.259	-0.727	-0.912

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5111	1.5111	1.0820	2.2309	2.2309	1.0820	2.2309	2.2309
C2	1.5111		1.5111	2.2309	1.0820	2.2309	2.2309	1.0820	2.2309
C3	1.5111	1.5111		2.2309	2.2309	1.0820	2.2309	2.2309	1.0820
H4	1.0820	2.2309	2.2309		2.5190	2.5190	1.8244	3.1102	3.1102
H5	2.2309	1.0820	2.2309	2.5190		2.5190	3.1102	1.8244	3.1102
H6	2.2309	2.2309	1.0820	2.5190	2.5190		3.1102	3.1102	1.8244
H7	1.0820	2.2309	2.2309	1.8244	3.1102	3.1102		2.5190	2.5190
H8	2.2309	1.0820	2.2309	3.1102	1.8244	3.1102	2.5190		2.5190
H9	2.2309	2.2309	1.0820	3.1102	3.1102	1.8244	2.5190	2.5190

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.759
C1	C2	H8	117.759	C1	C3	C2	60.000
C1	C3	H6	117.759	C1	C3	H9	117.759
C2	C1	C3	60.000	C2	C1	H4	117.759
C2	C1	H7	117.759	C2	C3	H6	117.759
C2	C3	H9	117.759	C3	C1	H4	117.759
C3	C1	H7	117.759	C3	C2	H5	117.759
C3	C2	H8	117.759	H4	C1	H7	114.931
H5	C2	H8	114.931	H6	C3	H9	114.931

All results from a given calculation for C₃H₆ (Cyclopropane)

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

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-pVTZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)