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	hartrees
Energy at 0K	-117.553662
Energy at 298.15K	-117.560094
HF Energy	-117.070991
Nuclear repulsion energy	75.834927

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3221	3221	0.00
2	A₁'	1585	1585	0.00
3	A₁'	1248	1248	0.00
4	A₁"	1197	1197	0.00
5	A₂'	1131	1131	0.00
6	A₂"	3312	3312	34.77
7	A₂"	882	882	0.12
8	E'	3209	3209	23.49
8	E'	3209	3209	23.49
9	E'	1526	1526	0.18
9	E'	1526	1526	0.18
10	E'	1120	1120	8.75
10	E'	1120	1120	8.75
11	E'	917	917	24.28
11	E'	917	917	24.28
12	E"	3294	3294	0.00
12	E"	3294	3294	0.00
13	E"	1252	1252	0.00
13	E"	1252	1252	0.00
14	E"	773	773	0.00
14	E"	773	773	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	1.455	0.908
H5	1.260	-0.728	0.908
H6	-1.260	-0.728	0.908
H7	0.000	1.455	-0.908
H8	1.260	-0.728	-0.908
H9	-1.260	-0.728	-0.908

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5060	1.5060	1.0807	2.2278	2.2278	1.0807	2.2278	2.2278
C2	1.5060		1.5060	2.2278	1.0807	2.2278	2.2278	1.0807	2.2278
C3	1.5060	1.5060		2.2278	2.2278	1.0807	2.2278	2.2278	1.0807
H4	1.0807	2.2278	2.2278		2.5202	2.5202	1.8167	3.1067	3.1067
H5	2.2278	1.0807	2.2278	2.5202		2.5202	3.1067	1.8167	3.1067
H6	2.2278	2.2278	1.0807	2.5202	2.5202		3.1067	3.1067	1.8167
H7	1.0807	2.2278	2.2278	1.8167	3.1067	3.1067		2.5202	2.5202
H8	2.2278	1.0807	2.2278	3.1067	1.8167	3.1067	2.5202		2.5202
H9	2.2278	2.2278	1.0807	3.1067	3.1067	1.8167	2.5202	2.5202

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.984
C1	C2	H8	117.984	C1	C3	C2	60.000
C1	C3	H6	117.984	C1	C3	H9	117.984
C2	C1	C3	60.000	C2	C1	H4	117.984
C2	C1	H7	117.984	C2	C3	H6	117.984
C2	C3	H9	117.984	C3	C1	H4	117.984
C3	C1	H7	117.984	C3	C2	H5	117.984
C3	C2	H8	117.984	H4	C1	H7	114.384
H5	C2	H8	114.384	H6	C3	H9	114.384

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CCSD=FULL/6-31+G**

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: CCSD=FULL/6-31+G**

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)