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	hartrees
Energy at 0K	-116.383874
Energy at 298.15K
HF Energy	-116.383874
Nuclear repulsion energy	74.107425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁'	3301	3054	0.00	96.27	0.05	0.09
2	A₁'	1602	1482	0.00	16.13	0.75	0.86
3	A₁'	1255	1161	0.00	19.08	0.16	0.28
4	A₁"	1210	1120	0.00	0.00	0.75	0.86
5	A₂'	1154	1068	0.00	0.00	0.75	0.86
6	A₂"	3448	3190	0.49	0.00	0.75	0.86
7	A₂"	867	802	0.51	0.00	0.75	0.86
8	E'	3291	3045	0.52	9.53	0.75	0.86
8	E'	3291	3045	0.52	9.53	0.75	0.86
9	E'	1563	1446	0.13	9.13	0.75	0.86
9	E'	1563	1446	0.13	9.13	0.75	0.86
10	E'	1160	1073	2.59	0.14	0.75	0.86
10	E'	1160	1073	2.59	0.14	0.75	0.86
11	E'	945	875	6.10	10.72	0.75	0.86
11	E'	945	875	6.10	10.72	0.75	0.86
12	E"	3437	3180	0.00	43.50	0.75	0.86
12	E"	3437	3180	0.00	43.50	0.75	0.86
13	E"	1261	1167	0.00	12.43	0.75	0.86
13	E"	1261	1167	0.00	12.43	0.75	0.86
14	E"	783	724	0.00	2.27	0.75	0.86
14	E"	783	724	0.00	2.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.891	0.000
C2	0.772	-0.445	0.000
C3	-0.772	-0.445	0.000
H4	0.000	1.489	0.927
H5	1.290	-0.745	0.927
H6	-1.290	-0.745	0.927
H7	0.000	1.489	-0.927
H8	1.290	-0.745	-0.927
H9	-1.290	-0.745	-0.927

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5431	1.5431	1.1030	2.2796	2.2796	1.1030	2.2796	2.2796
C2	1.5431		1.5431	2.2796	1.1030	2.2796	2.2796	1.1030	2.2796
C3	1.5431	1.5431		2.2796	2.2796	1.1030	2.2796	2.2796	1.1030
H4	1.1030	2.2796	2.2796		2.5791	2.5791	1.8536	3.1761	3.1761
H5	2.2796	1.1030	2.2796	2.5791		2.5791	3.1761	1.8536	3.1761
H6	2.2796	2.2796	1.1030	2.5791	2.5791		3.1761	3.1761	1.8536
H7	1.1030	2.2796	2.2796	1.8536	3.1761	3.1761		2.5791	2.5791
H8	2.2796	1.1030	2.2796	3.1761	1.8536	3.1761	2.5791		2.5791
H9	2.2796	2.2796	1.1030	3.1761	3.1761	1.8536	2.5791	2.5791

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.007
C1	C2	H8	118.007	C1	C3	C2	60.000
C1	C3	H6	118.007	C1	C3	H9	118.007
C2	C1	C3	60.000	C2	C1	H4	118.007
C2	C1	H7	118.007	C2	C3	H6	118.007
C2	C3	H9	118.007	C3	C1	H4	118.007
C3	C1	H7	118.007	C3	C2	H5	118.007
C3	C2	H8	118.007	H4	C1	H7	114.330
H5	C2	H8	114.330	H6	C3	H9	114.330

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: BLYP/STO-3G

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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Number	Element	Mulliken
1	C	-0.157
2	C	-0.157
3	C	-0.157
4	H	0.079
5	H	0.079
6	H	0.079
7	H	0.079
8	H	0.079
9	H	0.079

<r²>	44.377
(<r²>)^1/2	6.662

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)