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	hartrees
Energy at 0K	-117.556929
Energy at 298.15K	-117.563281
HF Energy	-117.070334
Nuclear repulsion energy	75.129225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3166	3166	0.00
2	A₁'	1527	1527	0.00
3	A₁'	1221	1221	0.00
4	A₁"	1150	1150	0.00
5	A₂'	1074	1074	0.00
6	A₂"	3260	3260	33.31
7	A₂"	848	848	0.13
8	E'	3153	3153	22.01
8	E'	3153	3153	22.01
9	E'	1469	1469	0.33
9	E'	1469	1469	0.33
10	E'	1052	1052	6.05
10	E'	1052	1052	6.05
11	E'	894	894	19.78
11	E'	894	894	19.78
12	E"	3240	3240	0.00
12	E"	3240	3240	0.00
13	E"	1208	1208	0.00
13	E"	1208	1208	0.00
14	E"	732	732	0.00
14	E"	732	732	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.877	0.000
C2	0.760	-0.439	0.000
C3	-0.760	-0.439	0.000
H4	0.000	1.466	0.920
H5	1.270	-0.733	0.920
H6	-1.270	-0.733	0.920
H7	0.000	1.466	-0.920
H8	1.270	-0.733	-0.920
H9	-1.270	-0.733	-0.920

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5195	1.5195	1.0923	2.2477	2.2477	1.0923	2.2477	2.2477
C2	1.5195		1.5195	2.2477	1.0923	2.2477	2.2477	1.0923	2.2477
C3	1.5195	1.5195		2.2477	2.2477	1.0923	2.2477	2.2477	1.0923
H4	1.0923	2.2477	2.2477		2.5398	2.5398	1.8397	3.1361	3.1361
H5	2.2477	1.0923	2.2477	2.5398		2.5398	3.1361	1.8397	3.1361
H6	2.2477	2.2477	1.0923	2.5398	2.5398		3.1361	3.1361	1.8397
H7	1.0923	2.2477	2.2477	1.8397	3.1361	3.1361		2.5398	2.5398
H8	2.2477	1.0923	2.2477	3.1361	1.8397	3.1361	2.5398		2.5398
H9	2.2477	2.2477	1.0923	3.1361	3.1361	1.8397	2.5398	2.5398

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.842
C1	C2	H8	117.842	C1	C3	C2	60.000
C1	C3	H6	117.842	C1	C3	H9	117.842
C2	C1	C3	60.000	C2	C1	H4	117.842
C2	C1	H7	117.842	C2	C3	H6	117.842
C2	C3	H9	117.842	C3	C1	H4	117.842
C3	C1	H7	117.842	C3	C2	H5	117.842
C3	C2	H8	117.842	H4	C1	H7	114.730
H5	C2	H8	114.730	H6	C3	H9	114.730

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CCSD=FULL/aug-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: CCSD=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)