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	hartrees
Energy at 0K	-117.896881
Energy at 298.15K
HF Energy	-117.896881
Nuclear repulsion energy	76.004411

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'	3153	3153	0.00	289.04	0.02	0.05
2	A₁'	1531	1531	0.00	2.24	0.11	0.20
3	A₁'	1221	1221	0.00	43.30	0.06	0.12
4	A₁"	1160	1160	0.00	0.00	0.75	0.86
5	A₂'	1103	1103	0.00	0.00	0.75	0.86
6	A₂"	3244	3244	27.01	0.00	0.75	0.86
7	A₂"	866	866	0.53	0.00	0.75	0.86
8	E'	3143	3143	21.88	23.22	0.75	0.86
8	E'	3143	3143	21.89	23.28	0.75	0.86
9	E'	1480	1480	1.61	4.67	0.75	0.86
9	E'	1480	1480	1.61	4.65	0.75	0.86
10	E'	1065	1065	8.88	1.32	0.75	0.86
10	E'	1065	1065	8.89	1.33	0.75	0.86
11	E'	899	899	21.79	8.02	0.75	0.86
11	E'	899	899	21.75	8.03	0.75	0.86
12	E"	3223	3223	0.00	89.50	0.75	0.86
12	E"	3223	3223	0.00	89.58	0.75	0.86
13	E"	1217	1217	0.00	1.42	0.75	0.86
13	E"	1217	1217	0.00	1.41	0.75	0.86
14	E"	751	751	0.00	0.55	0.75	0.86
14	E"	751	751	0.00	0.54	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.866	0.000
C2	0.750	-0.433	0.000
C3	-0.750	-0.433	0.000
H4	0.000	1.452	0.908
H5	1.258	-0.726	0.908
H6	-1.258	-0.726	0.908
H7	0.000	1.452	-0.908
H8	1.258	-0.726	-0.908
H9	-1.258	-0.726	-0.908

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5007	1.5007	1.0809	2.2233	2.2233	1.0809	2.2233	2.2233
C2	1.5007		1.5007	2.2233	1.0809	2.2233	2.2233	1.0809	2.2233
C3	1.5007	1.5007		2.2233	2.2233	1.0809	2.2233	2.2233	1.0809
H4	1.0809	2.2233	2.2233		2.5152	2.5152	1.8169	3.1028	3.1028
H5	2.2233	1.0809	2.2233	2.5152		2.5152	3.1028	1.8169	3.1028
H6	2.2233	2.2233	1.0809	2.5152	2.5152		3.1028	3.1028	1.8169
H7	1.0809	2.2233	2.2233	1.8169	3.1028	3.1028		2.5152	2.5152
H8	2.2233	1.0809	2.2233	3.1028	1.8169	3.1028	2.5152		2.5152
H9	2.2233	2.2233	1.0809	3.1028	3.1028	1.8169	2.5152	2.5152

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.988
C1	C2	H8	117.988	C1	C3	C2	60.000
C1	C3	H6	117.988	C1	C3	H9	117.988
C2	C1	C3	60.000	C2	C1	H4	117.988
C2	C1	H7	117.988	C2	C3	H6	117.988
C2	C3	H9	117.988	C3	C1	H4	117.988
C3	C1	H7	117.988	C3	C2	H5	117.988
C3	C2	H8	117.988	H4	C1	H7	114.376
H5	C2	H8	114.376	H6	C3	H9	114.376

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: wB97X-D/6-311+G(3df,2p)

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	-0.314
2	C	-0.314
3	C	-0.314
4	H	0.157
5	H	0.157
6	H	0.157
7	H	0.157
8	H	0.157
9	H	0.157

<r²>	43.533
(<r²>)^1/2	6.598

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: wB97X-D/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)