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	hartrees
Energy at 0K	-20.353413
Energy at 298.15K	-20.359788
HF Energy	-19.922072
Nuclear repulsion energy	42.766907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3147	2968	0.00
2	A₁'	1551	1463	0.00
3	A₁'	1216	1147	0.00
4	A₁"	1180	1113	0.00
5	A₂'	1096	1034	0.00
6	A₂"	3245	3060	46.17
7	A₂"	853	804	0.19
8	E'	3134	2956	26.82
8	E'	3134	2956	26.82
9	E'	1493	1408	0.74
9	E'	1493	1408	0.74
10	E'	1095	1033	9.13
10	E'	1095	1033	9.13
11	E'	897	846	24.25
11	E'	897	846	24.25
12	E"	3226	3042	0.00
12	E"	3226	3042	0.00
13	E"	1228	1158	0.00
13	E"	1228	1158	0.00
14	E"	752	709	0.00
14	E"	752	709	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.879	0.000
C2	0.762	-0.440	0.000
C3	-0.762	-0.440	0.000
H4	0.000	1.466	0.917
H5	1.270	-0.733	0.917
H6	-1.270	-0.733	0.917
H7	0.000	1.466	-0.917
H8	1.270	-0.733	-0.917
H9	-1.270	-0.733	-0.917

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5233	1.5233	1.0888	2.2481	2.2481	1.0888	2.2481	2.2481
C2	1.5233		1.5233	2.2481	1.0888	2.2481	2.2481	1.0888	2.2481
C3	1.5233	1.5233		2.2481	2.2481	1.0888	2.2481	2.2481	1.0888
H4	1.0888	2.2481	2.2481		2.5395	2.5395	1.8344	3.1327	3.1327
H5	2.2481	1.0888	2.2481	2.5395		2.5395	3.1327	1.8344	3.1327
H6	2.2481	2.2481	1.0888	2.5395	2.5395		3.1327	3.1327	1.8344
H7	1.0888	2.2481	2.2481	1.8344	3.1327	3.1327		2.5395	2.5395
H8	2.2481	1.0888	2.2481	3.1327	1.8344	3.1327	2.5395		2.5395
H9	2.2481	2.2481	1.0888	3.1327	3.1327	1.8344	2.5395	2.5395

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.818
C1	C2	H8	117.818	C1	C3	C2	60.000
C1	C3	H6	117.818	C1	C3	H9	117.818
C2	C1	C3	60.000	C2	C1	H4	117.818
C2	C1	H7	117.818	C2	C3	H6	117.818
C2	C3	H9	117.818	C3	C1	H4	117.818
C3	C1	H7	117.818	C3	C2	H5	117.818
C3	C2	H8	117.818	H4	C1	H7	114.788
H5	C2	H8	114.788	H6	C3	H9	114.788

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CCD/CEP-121G*

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: CCD/CEP-121G*

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)