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	hartrees
Energy at 0K	-116.432113
Energy at 298.15K
HF Energy	-116.432113
Nuclear repulsion energy	74.524852

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'	3333	3333	0.00	95.19	0.05	0.09
2	A₁'	1619	1619	0.00	15.49	0.75	0.85
3	A₁'	1286	1286	0.00	19.57	0.17	0.29
4	A₁"	1226	1226	0.00	0.00	0.75	0.86
5	A₂'	1165	1165	0.00	0.00	0.75	0.86
6	A₂"	3484	3484	0.67	0.00	0.75	0.86
7	A₂"	878	878	0.43	0.00	0.75	0.86
8	E'	3322	3322	0.47	9.42	0.75	0.86
8	E'	3322	3322	0.47	9.42	0.75	0.86
9	E'	1574	1574	0.11	8.87	0.75	0.86
9	E'	1574	1574	0.11	8.87	0.75	0.86
10	E'	1178	1178	2.06	0.03	0.75	0.86
10	E'	1178	1178	2.06	0.03	0.75	0.86
11	E'	976	976	6.38	10.54	0.75	0.86
11	E'	976	976	6.38	10.54	0.75	0.86
12	E"	3473	3473	0.00	42.82	0.75	0.86
12	E"	3473	3473	0.00	42.83	0.75	0.86
13	E"	1277	1277	0.00	12.23	0.75	0.86
13	E"	1277	1277	0.00	12.24	0.75	0.86
14	E"	790	790	0.00	2.21	0.75	0.86
14	E"	790	790	0.00	2.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.884	0.000
C2	0.766	-0.442	0.000
C3	-0.766	-0.442	0.000
H4	0.000	1.481	0.925
H5	1.283	-0.741	0.925
H6	-1.283	-0.741	0.925
H7	0.000	1.481	-0.925
H8	1.283	-0.741	-0.925
H9	-1.283	-0.741	-0.925

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5317	1.5317	1.1007	2.2673	2.2673	1.1007	2.2673	2.2673
C2	1.5317		1.5317	2.2673	1.1007	2.2673	2.2673	1.1007	2.2673
C3	1.5317	1.5317		2.2673	2.2673	1.1007	2.2673	2.2673	1.1007
H4	1.1007	2.2673	2.2673		2.5653	2.5653	1.8498	3.1626	3.1626
H5	2.2673	1.1007	2.2673	2.5653		2.5653	3.1626	1.8498	3.1626
H6	2.2673	2.2673	1.1007	2.5653	2.5653		3.1626	3.1626	1.8498
H7	1.1007	2.2673	2.2673	1.8498	3.1626	3.1626		2.5653	2.5653
H8	2.2673	1.1007	2.2673	3.1626	1.8498	3.1626	2.5653		2.5653
H9	2.2673	2.2673	1.1007	3.1626	3.1626	1.8498	2.5653	2.5653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.003
C1	C2	H8	118.003	C1	C3	C2	60.000
C1	C3	H6	118.003	C1	C3	H9	118.003
C2	C1	C3	60.000	C2	C1	H4	118.003
C2	C1	H7	118.003	C2	C3	H6	118.003
C2	C3	H9	118.003	C3	C1	H4	118.003
C3	C1	H7	118.003	C3	C2	H5	118.003
C3	C2	H8	118.003	H4	C1	H7	114.339
H5	C2	H8	114.339	H6	C3	H9	114.339

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B97D3/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	-0.158
2	C	-0.158
3	C	-0.158
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>	44.018
(<r²>)^1/2	6.635

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: B97D3/STO-3G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)