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	hartrees
Energy at 0K	-117.868927
Energy at 298.15K
HF Energy	-117.868927
Nuclear repulsion energy	75.594079

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'	3159	3159	0.00	321.07	0.02	0.04
2	A₁'	1519	1519	0.00	2.96	0.05	0.09
3	A₁'	1222	1222	0.00	43.93	0.05	0.10
4	A₁"	1143	1143	0.00	0.00	0.75	0.86
5	A₂'	1063	1063	0.00	0.00	0.75	0.86
6	A₂"	3258	3258	31.42	0.00	0.75	0.86
7	A₂"	856	856	0.59	0.00	0.75	0.86
8	E'	3149	3149	25.05	25.16	0.75	0.86
8	E'	3149	3149	25.06	25.11	0.75	0.86
9	E'	1458	1458	1.60	4.28	0.75	0.86
9	E'	1458	1458	1.62	4.31	0.75	0.86
10	E'	1039	1039	7.37	1.51	0.75	0.86
10	E'	1039	1039	7.37	1.51	0.75	0.86
11	E'	897	897	23.13	7.33	0.75	0.86
11	E'	897	897	23.14	7.32	0.75	0.86
12	E"	3238	3238	0.00	96.36	0.75	0.86
12	E"	3238	3238	0.00	96.48	0.75	0.86
13	E"	1201	1201	0.00	1.23	0.75	0.86
13	E"	1201	1201	0.00	1.22	0.75	0.86
14	E"	738	738	0.00	0.54	0.75	0.86
14	E"	738	738	0.00	0.53	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.871	0.000
C2	0.754	-0.435	0.000
C3	-0.754	-0.435	0.000
H4	0.000	1.458	0.916
H5	1.263	-0.729	0.916
H6	-1.263	-0.729	0.916
H7	0.000	1.458	-0.916
H8	1.263	-0.729	-0.916
H9	-1.263	-0.729	-0.916

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5081	1.5081	1.0882	2.2346	2.2346	1.0882	2.2346	2.2346
C2	1.5081		1.5081	2.2346	1.0882	2.2346	2.2346	1.0882	2.2346
C3	1.5081	1.5081		2.2346	2.2346	1.0882	2.2346	2.2346	1.0882
H4	1.0882	2.2346	2.2346		2.5260	2.5260	1.8318	3.1203	3.1203
H5	2.2346	1.0882	2.2346	2.5260		2.5260	3.1203	1.8318	3.1203
H6	2.2346	2.2346	1.0882	2.5260	2.5260		3.1203	3.1203	1.8318
H7	1.0882	2.2346	2.2346	1.8318	3.1203	3.1203		2.5260	2.5260
H8	2.2346	1.0882	2.2346	3.1203	1.8318	3.1203	2.5260		2.5260
H9	2.2346	2.2346	1.0882	3.1203	3.1203	1.8318	2.5260	2.5260

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.885
C1	C2	H8	117.885	C1	C3	C2	60.000
C1	C3	H6	117.885	C1	C3	H9	117.885
C2	C1	C3	60.000	C2	C1	H4	117.885
C2	C1	H7	117.885	C2	C3	H6	117.885
C2	C3	H9	117.885	C3	C1	H4	117.885
C3	C1	H7	117.885	C3	C2	H5	117.885
C3	C2	H8	117.885	H4	C1	H7	114.625
H5	C2	H8	114.625	H6	C3	H9	114.625

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: wB97X-D/daug-cc-pVDZ

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	1.517
2	C	1.517
3	C	1.517
4	H	-0.758
5	H	-0.758
6	H	-0.758
7	H	-0.758
8	H	-0.758
9	H	-0.758

<r²>	43.918
(<r²>)^1/2	6.627

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: wB97X-D/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)