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	hartrees
Energy at 0K	-117.537448
Energy at 298.15K	-117.543822
HF Energy	-117.066343
Nuclear repulsion energy	75.194067

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3180	3180	0.00
2	A₁'	1537	1537	0.00
3	A₁'	1234	1234	0.00
4	A₁"	1160	1160	0.00
5	A₂'	1092	1092	0.00
6	A₂"	3274	3274	28.61
7	A₂"	856	856	0.16
8	E'	3167	3167	19.87
8	E'	3167	3167	19.87
9	E'	1471	1471	0.52
9	E'	1471	1471	0.52
10	E'	1076	1076	4.94
10	E'	1076	1076	4.94
11	E'	910	910	18.58
11	E'	910	910	18.58
12	E"	3255	3255	0.00
12	E"	3255	3255	0.00
13	E"	1215	1215	0.00
13	E"	1215	1215	0.00
14	E"	739	739	0.00
14	E"	739	739	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.875	0.000
C2	0.758	-0.438	0.000
C3	-0.758	-0.438	0.000
H4	0.000	1.467	0.921
H5	1.270	-0.733	0.921
H6	-1.270	-0.733	0.921
H7	0.000	1.467	-0.921
H8	1.270	-0.733	-0.921
H9	-1.270	-0.733	-0.921

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5158	1.5158	1.0943	2.2468	2.2468	1.0943	2.2468	2.2468
C2	1.5158		1.5158	2.2468	1.0943	2.2468	2.2468	1.0943	2.2468
C3	1.5158	1.5158		2.2468	2.2468	1.0943	2.2468	2.2468	1.0943
H4	1.0943	2.2468	2.2468		2.5403	2.5403	1.8414	3.1375	3.1375
H5	2.2468	1.0943	2.2468	2.5403		2.5403	3.1375	1.8414	3.1375
H6	2.2468	2.2468	1.0943	2.5403	2.5403		3.1375	3.1375	1.8414
H7	1.0943	2.2468	2.2468	1.8414	3.1375	3.1375		2.5403	2.5403
H8	2.2468	1.0943	2.2468	3.1375	1.8414	3.1375	2.5403		2.5403
H9	2.2468	2.2468	1.0943	3.1375	3.1375	1.8414	2.5403	2.5403

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.912
C1	C2	H8	117.912	C1	C3	C2	60.000
C1	C3	H6	117.912	C1	C3	H9	117.912
C2	C1	C3	60.000	C2	C1	H4	117.912
C2	C1	H7	117.912	C2	C3	H6	117.912
C2	C3	H9	117.912	C3	C1	H4	117.912
C3	C1	H7	117.912	C3	C2	H5	117.912
C3	C2	H8	117.912	H4	C1	H7	114.560
H5	C2	H8	114.560	H6	C3	H9	114.560

All results from a given calculation for C₃H₆ (Cyclopropane)

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

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)