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	hartrees
Energy at 0K	-117.484128
Energy at 298.15K	-117.490540
HF Energy	-117.058106
Nuclear repulsion energy	75.613318

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3179	3027	0.00
2	A₁'	1578	1503	0.00
3	A₁'	1253	1193	0.00
4	A₁"	1189	1132	0.00
5	A₂'	1122	1068	0.00
6	A₂"	3263	3107	37.23
7	A₂"	879	837	0.26
8	E'	3168	3017	23.58
8	E'	3168	3017	23.58
9	E'	1521	1448	0.61
9	E'	1521	1448	0.61
10	E'	1112	1059	8.25
10	E'	1112	1059	8.25
11	E'	922	878	18.44
11	E'	922	878	18.44
12	E"	3245	3090	0.00
12	E"	3245	3090	0.00
13	E"	1248	1189	0.00
13	E"	1248	1189	0.00
14	E"	766	730	0.00
14	E"	766	730	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.870	0.000
C2	0.754	-0.435	0.000
C3	-0.754	-0.435	0.000
H4	0.000	1.462	0.912
H5	1.266	-0.731	0.912
H6	-1.266	-0.731	0.912
H7	0.000	1.462	-0.912
H8	1.266	-0.731	-0.912
H9	-1.266	-0.731	-0.912

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5071	1.5071	1.0877	2.2362	2.2362	1.0877	2.2362	2.2362
C2	1.5071		1.5071	2.2362	1.0877	2.2362	2.2362	1.0877	2.2362
C3	1.5071	1.5071		2.2362	2.2362	1.0877	2.2362	2.2362	1.0877
H4	1.0877	2.2362	2.2362		2.5328	2.5328	1.8248	3.1217	3.1217
H5	2.2362	1.0877	2.2362	2.5328		2.5328	3.1217	1.8248	3.1217
H6	2.2362	2.2362	1.0877	2.5328	2.5328		3.1217	3.1217	1.8248
H7	1.0877	2.2362	2.2362	1.8248	3.1217	3.1217		2.5328	2.5328
H8	2.2362	1.0877	2.2362	3.1217	1.8248	3.1217	2.5328		2.5328
H9	2.2362	2.2362	1.0877	3.1217	3.1217	1.8248	2.5328	2.5328

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.130
C1	C2	H8	118.130	C1	C3	C2	60.000
C1	C3	H6	118.130	C1	C3	H9	118.130
C2	C1	C3	60.000	C2	C1	H4	118.130
C2	C1	H7	118.130	C2	C3	H6	118.130
C2	C3	H9	118.130	C3	C1	H4	118.130
C3	C1	H7	118.130	C3	C2	H5	118.130
C3	C2	H8	118.130	H4	C1	H7	114.032
H5	C2	H8	114.032	H6	C3	H9	114.032

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: QCISD/6-31G*

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/6-31G*

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)