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	hartrees
Energy at 0K	-117.476657
Energy at 298.15K	-117.483083
HF Energy	-117.066975
Nuclear repulsion energy	75.527578

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3239	2986	0.00
2	A₁'	1572	1449	0.00
3	A₁'	1261	1163	0.00
4	A₁"	1187	1094	0.00
5	A₂'	1124	1036	0.00
6	A₂"	3333	3073	28.56
7	A₂"	875	806	0.19
8	E'	3224	2972	20.34
8	E'	3224	2972	20.34
9	E'	1501	1384	0.68
9	E'	1501	1384	0.68
10	E'	1105	1018	4.44
10	E'	1105	1018	4.44
11	E'	932	859	20.89
11	E'	932	859	20.89
12	E"	3313	3054	0.00
12	E"	3313	3054	0.00
13	E"	1244	1146	0.00
13	E"	1244	1146	0.00
14	E"	756	697	0.00
14	E"	756	697	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.871	0.000
C2	0.755	-0.436	0.000
C3	-0.755	-0.436	0.000
H4	0.000	1.461	0.916
H5	1.265	-0.730	0.916
H6	-1.265	-0.730	0.916
H7	0.000	1.461	-0.916
H8	1.265	-0.730	-0.916
H9	-1.265	-0.730	-0.916

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5091	1.5091	1.0895	2.2370	2.2370	1.0895	2.2370	2.2370
C2	1.5091		1.5091	2.2370	1.0895	2.2370	2.2370	1.0895	2.2370
C3	1.5091	1.5091		2.2370	2.2370	1.0895	2.2370	2.2370	1.0895
H4	1.0895	2.2370	2.2370		2.5297	2.5297	1.8327	3.1238	3.1238
H5	2.2370	1.0895	2.2370	2.5297		2.5297	3.1238	1.8327	3.1238
H6	2.2370	2.2370	1.0895	2.5297	2.5297		3.1238	3.1238	1.8327
H7	1.0895	2.2370	2.2370	1.8327	3.1238	3.1238		2.5297	2.5297
H8	2.2370	1.0895	2.2370	3.1238	1.8327	3.1238	2.5297		2.5297
H9	2.2370	2.2370	1.0895	3.1238	3.1238	1.8327	2.5297	2.5297

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.931
C1	C2	H8	117.931	C1	C3	C2	60.000
C1	C3	H6	117.931	C1	C3	H9	117.931
C2	C1	C3	60.000	C2	C1	H4	117.931
C2	C1	H7	117.931	C2	C3	H6	117.931
C2	C3	H9	117.931	C3	C1	H4	117.931
C3	C1	H7	117.931	C3	C2	H5	117.931
C3	C2	H8	117.931	H4	C1	H7	114.513
H5	C2	H8	114.513	H6	C3	H9	114.513

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CISD/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: CISD/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)