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	hartrees
Energy at 0K	-117.325776
Energy at 298.15K	-117.332188
HF Energy	-117.005254
Nuclear repulsion energy	74.650720

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3129	3129
2	A₁'	1553	1553
3	A₁'	1194	1194
4	A₁"	1187	1187
5	A₂'	1157	1157
6	A₂"	3216	3216
7	A₂"	877	877
8	E'	3116	3116
8	E'	3115	3115
9	E'	1526	1526
9	E'	1526	1526
10	E'	1142	1142
10	E'	1142	1142
11	E'	868	868
11	E'	868	868
12	E"	3194	3194
12	E"	3194	3194
13	E"	1244	1244
13	E"	1244	1244
14	E"	783	783
14	E"	783	783

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.885	0.000
C2	0.767	-0.443	0.000
C3	-0.767	-0.443	0.000
H4	0.000	1.482	0.915
H5	1.284	-0.741	0.915
H6	-1.284	-0.741	0.915
H7	0.000	1.482	-0.915
H8	1.284	-0.741	-0.915
H9	-1.284	-0.741	-0.915

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5333	1.5333	1.0923	2.2650	2.2650	1.0923	2.2650	2.2650
C2	1.5333		1.5333	2.2650	1.0923	2.2650	2.2650	1.0923	2.2650
C3	1.5333	1.5333		2.2650	2.2650	1.0923	2.2650	2.2650	1.0923
H4	1.0923	2.2650	2.2650		2.5677	2.5677	1.8291	3.1526	3.1526
H5	2.2650	1.0923	2.2650	2.5677		2.5677	3.1526	1.8291	3.1526
H6	2.2650	2.2650	1.0923	2.5677	2.5677		3.1526	3.1526	1.8291
H7	1.0923	2.2650	2.2650	1.8291	3.1526	3.1526		2.5677	2.5677
H8	2.2650	1.0923	2.2650	3.1526	1.8291	3.1526	2.5677		2.5677
H9	2.2650	2.2650	1.0923	3.1526	3.1526	1.8291	2.5677	2.5677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.264
C1	C2	H8	118.264	C1	C3	C2	60.000
C1	C3	H6	118.264	C1	C3	H9	118.264
C2	C1	C3	60.000	C2	C1	H4	118.264
C2	C1	H7	118.264	C2	C3	H6	118.264
C2	C3	H9	118.264	C3	C1	H4	118.264
C3	C1	H7	118.264	C3	C2	H5	118.264
C3	C2	H8	118.264	H4	C1	H7	113.706
H5	C2	H8	113.706	H6	C3	H9	113.706

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CCSD(T)=FULL/6-31G

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/6-31G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)