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	hartrees
Energy at 0K	-117.648904
Energy at 298.15K	-117.655301
HF Energy	-117.101204
Nuclear repulsion energy	75.877483

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3175	3033	0.00
2	A₁'	1547	1478	0.00
3	A₁'	1230	1175	0.00
4	A₁"	1174	1122	0.00
5	A₂'	1109	1060	0.00
6	A₂"	3264	3119	27.92
7	A₂"	865	827	0.22
8	E'	3163	3023	20.64
8	E'	3163	3023	20.64
9	E'	1493	1427	0.69
9	E'	1493	1427	0.69
10	E'	1078	1030	7.59
10	E'	1078	1030	7.59
11	E'	906	866	19.75
11	E'	906	866	19.75
12	E"	3244	3100	0.00
12	E"	3244	3100	0.00
13	E"	1231	1176	0.00
13	E"	1231	1176	0.00
14	E"	750	717	0.00
14	E"	750	717	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.869	0.000
C2	0.753	-0.435	0.000
C3	-0.753	-0.435	0.000
H4	0.000	1.452	0.909
H5	1.257	-0.726	0.909
H6	-1.257	-0.726	0.909
H7	0.000	1.452	-0.909
H8	1.257	-0.726	-0.909
H9	-1.257	-0.726	-0.909

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5057	1.5057	1.0799	2.2254	2.2254	1.0799	2.2254	2.2254
C2	1.5057		1.5057	2.2254	1.0799	2.2254	2.2254	1.0799	2.2254
C3	1.5057	1.5057		2.2254	2.2254	1.0799	2.2254	2.2254	1.0799
H4	1.0799	2.2254	2.2254		2.5148	2.5148	1.8185	3.1034	3.1034
H5	2.2254	1.0799	2.2254	2.5148		2.5148	3.1034	1.8185	3.1034
H6	2.2254	2.2254	1.0799	2.5148	2.5148		3.1034	3.1034	1.8185
H7	1.0799	2.2254	2.2254	1.8185	3.1034	3.1034		2.5148	2.5148
H8	2.2254	1.0799	2.2254	3.1034	1.8185	3.1034	2.5148		2.5148
H9	2.2254	2.2254	1.0799	3.1034	3.1034	1.8185	2.5148	2.5148

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.854
C1	C2	H8	117.854	C1	C3	C2	60.000
C1	C3	H6	117.854	C1	C3	H9	117.854
C2	C1	C3	60.000	C2	C1	H4	117.854
C2	C1	H7	117.854	C2	C3	H6	117.854
C2	C3	H9	117.854	C3	C1	H4	117.854
C3	C1	H7	117.854	C3	C2	H5	117.854
C3	C2	H8	117.854	H4	C1	H7	114.701
H5	C2	H8	114.701	H6	C3	H9	114.701

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: QCISD/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/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)