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	hartrees
Energy at 0K	-117.719621
Energy at 298.15K	-117.726003
HF Energy	-117.101354
Nuclear repulsion energy	76.011928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3178	3045
2	A₁'	1539	1474
3	A₁'	1228	1176
4	A₁"	1168	1119
5	A₂'	1095	1049
6	A₂"	3252	3116
7	A₂"	863	827
8	E'	3168	3035
8	E'	3167	3034
9	E'	1488	1425
9	E'	1488	1425
10	E'	1066	1021
10	E'	1066	1021
11	E'	902	864
11	E'	902	864
12	E"	3232	3096
12	E"	3231	3096
13	E"	1223	1171
13	E"	1223	1171
14	E"	745	714
14	E"	745	714

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.868	0.000
C2	0.752	-0.434	0.000
C3	-0.752	-0.434	0.000
H4	0.000	1.448	0.908
H5	1.254	-0.724	0.908
H6	-1.254	-0.724	0.908
H7	0.000	1.448	-0.908
H8	1.254	-0.724	-0.908
H9	-1.254	-0.724	-0.908

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5040	1.5040	1.0770	2.2208	2.2208	1.0770	2.2208	2.2208
C2	1.5040		1.5040	2.2208	1.0770	2.2208	2.2208	1.0770	2.2208
C3	1.5040	1.5040		2.2208	2.2208	1.0770	2.2208	2.2208	1.0770
H4	1.0770	2.2208	2.2208		2.5078	2.5078	1.8156	3.0960	3.0960
H5	2.2208	1.0770	2.2208	2.5078		2.5078	3.0960	1.8156	3.0960
H6	2.2208	2.2208	1.0770	2.5078	2.5078		3.0960	3.0960	1.8156
H7	1.0770	2.2208	2.2208	1.8156	3.0960	3.0960		2.5078	2.5078
H8	2.2208	1.0770	2.2208	3.0960	1.8156	3.0960	2.5078		2.5078
H9	2.2208	2.2208	1.0770	3.0960	3.0960	1.8156	2.5078	2.5078

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.774
C1	C2	H8	117.774	C1	C3	C2	60.000
C1	C3	H6	117.774	C1	C3	H9	117.774
C2	C1	C3	60.000	C2	C1	H4	117.774
C2	C1	H7	117.774	C2	C3	H6	117.774
C2	C3	H9	117.774	C3	C1	H4	117.774
C3	C1	H7	117.774	C3	C2	H5	117.774
C3	C2	H8	117.774	H4	C1	H7	114.895
H5	C2	H8	114.896	H6	C3	H9	114.896

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CCSD(T)=FULL/cc-pVTZ

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(T)=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)