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	hartrees
Energy at 0K	-117.284683
Energy at 298.15K	-117.291116
HF Energy	-117.016567
Nuclear repulsion energy	74.406463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3192	2942	0.00
2	A₁'	1564	1441	0.00
3	A₁'	1216	1121	0.00
4	A₁"	1197	1103	0.00
5	A₂'	1176	1084	0.00
6	A₂"	3288	3031	63.11
7	A₂"	892	822	2.52
8	E'	3170	2922	32.40
8	E'	3170	2922	32.40
9	E'	1526	1407	3.05
9	E'	1526	1407	3.05
10	E'	1152	1062	14.07
10	E'	1152	1062	14.07
11	E'	875	807	27.01
11	E'	875	807	27.01
12	E"	3266	3010	0.00
12	E"	3266	3010	0.00
13	E"	1254	1156	0.00
13	E"	1254	1156	0.00
14	E"	798	736	0.00
14	E"	798	736	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.891	0.000
C2	0.772	-0.446	0.000
C3	-0.772	-0.446	0.000
H4	0.000	1.483	0.915
H5	1.284	-0.741	0.915
H6	-1.284	-0.741	0.915
H7	0.000	1.483	-0.915
H8	1.284	-0.741	-0.915
H9	-1.284	-0.741	-0.915

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5434	1.5434	1.0899	2.2696	2.2696	1.0899	2.2696	2.2696
C2	1.5434		1.5434	2.2696	1.0899	2.2696	2.2696	1.0899	2.2696
C3	1.5434	1.5434		2.2696	2.2696	1.0899	2.2696	2.2696	1.0899
H4	1.0899	2.2696	2.2696		2.5678	2.5678	1.8309	3.1537	3.1537
H5	2.2696	1.0899	2.2696	2.5678		2.5678	3.1537	1.8309	3.1537
H6	2.2696	2.2696	1.0899	2.5678	2.5678		3.1537	3.1537	1.8309
H7	1.0899	2.2696	2.2696	1.8309	3.1537	3.1537		2.5678	2.5678
H8	2.2696	1.0899	2.2696	3.1537	1.8309	3.1537	2.5678		2.5678
H9	2.2696	2.2696	1.0899	3.1537	3.1537	1.8309	2.5678	2.5678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.031
C1	C2	H8	118.031	C1	C3	C2	60.000
C1	C3	H6	118.031	C1	C3	H9	118.031
C2	C1	C3	60.000	C2	C1	H4	118.031
C2	C1	H7	118.031	C2	C3	H6	118.031
C2	C3	H9	118.031	C3	C1	H4	118.031
C3	C1	H7	118.031	C3	C2	H5	118.031
C3	C2	H8	118.031	H4	C1	H7	114.271
H5	C2	H8	114.271	H6	C3	H9	114.271

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CISD/SDD

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/SDD

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)