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	hartrees
Energy at 0K	-117.315258
Energy at 298.15K	-117.321636
HF Energy	-117.014559
Nuclear repulsion energy	73.931800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3117	2940	0.00
2	A₁'	1526	1440	0.00
3	A₁'	1180	1112	0.00
4	A₁"	1171	1104	0.00
5	A₂'	1143	1078	0.00
6	A₂"	3216	3033	61.34
7	A₂"	875	825	2.55
8	E'	3101	2924	31.52
8	E'	3101	2924	31.52
9	E'	1492	1407	2.62
9	E'	1492	1407	2.62
10	E'	1128	1064	15.48
10	E'	1128	1064	15.48
11	E'	845	797	23.39
11	E'	845	797	23.39
12	E"	3195	3013	0.00
12	E"	3195	3013	0.00
13	E"	1226	1157	0.00
13	E"	1226	1157	0.00
14	E"	783	739	0.00
14	E"	783	739	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.897	0.000
C2	0.777	-0.449	0.000
C3	-0.777	-0.449	0.000
H4	0.000	1.491	0.922
H5	1.291	-0.745	0.922
H6	-1.291	-0.745	0.922
H7	0.000	1.491	-0.922
H8	1.291	-0.745	-0.922
H9	-1.291	-0.745	-0.922

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5538	1.5538	1.0965	2.2836	2.2836	1.0965	2.2836	2.2836
C2	1.5538		1.5538	2.2836	1.0965	2.2836	2.2836	1.0965	2.2836
C3	1.5538	1.5538		2.2836	2.2836	1.0965	2.2836	2.2836	1.0965
H4	1.0965	2.2836	2.2836		2.5823	2.5823	1.8437	3.1729	3.1729
H5	2.2836	1.0965	2.2836	2.5823		2.5823	3.1729	1.8437	3.1729
H6	2.2836	2.2836	1.0965	2.5823	2.5823		3.1729	3.1729	1.8437
H7	1.0965	2.2836	2.2836	1.8437	3.1729	3.1729		2.5823	2.5823
H8	2.2836	1.0965	2.2836	3.1729	1.8437	3.1729	2.5823		2.5823
H9	2.2836	2.2836	1.0965	3.1729	3.1729	1.8437	2.5823	2.5823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.968
C1	C2	H8	117.968	C1	C3	C2	60.000
C1	C3	H6	117.968	C1	C3	H9	117.968
C2	C1	C3	60.000	C2	C1	H4	117.968
C2	C1	H7	117.968	C2	C3	H6	117.968
C2	C3	H9	117.968	C3	C1	H4	117.968
C3	C1	H7	117.968	C3	C2	H5	117.968
C3	C2	H8	117.968	H4	C1	H7	114.426
H5	C2	H8	114.426	H6	C3	H9	114.426

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CCSD/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: CCSD/SDD

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)