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	hartrees
Energy at 0K	-117.071851
Energy at 298.15K
HF Energy	-117.071851
Nuclear repulsion energy	75.976017

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'	3283	2994	0.00	312.67	0.03	0.05
2	A₁'	1639	1495	0.00	4.24	0.03	0.05
3	A₁'	1285	1172	0.00	52.06	0.06	0.11
4	A₁"	1237	1128	0.00	0.00	0.00	0.00
5	A₂'	1178	1074	0.00	0.00	0.00	0.00
6	A₂"	3374	3077	51.34	0.00	0.00	0.00
7	A₂"	902	823	0.17	0.00	0.00	0.00
8	E'	3268	2981	34.54	23.27	0.75	0.86
8	E'	3268	2981	34.54	23.27	0.75	0.86
9	E'	1573	1435	0.60	3.84	0.75	0.86
9	E'	1573	1435	0.60	3.84	0.75	0.86
10	E'	1145	1044	4.19	2.03	0.75	0.86
10	E'	1145	1044	4.19	2.03	0.75	0.86
11	E'	940	857	27.01	9.79	0.75	0.86
11	E'	940	857	27.01	9.79	0.75	0.86
12	E"	3350	3055	0.00	96.94	0.75	0.86
12	E"	3350	3055	0.00	96.94	0.75	0.86
13	E"	1299	1185	0.00	1.34	0.75	0.86
13	E"	1299	1185	0.00	1.34	0.75	0.86
14	E"	781	713	0.00	0.48	0.75	0.86
14	E"	781	713	0.00	0.48	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.867	0.000
C2	0.751	-0.434	0.000
C3	-0.751	-0.434	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		1.5022	1.5022	1.0801	2.2239	2.2239	1.0801	2.2239	2.2239
C2	1.5022		1.5022	2.2239	1.0801	2.2239	2.2239	1.0801	2.2239
C3	1.5022	1.5022		2.2239	2.2239	1.0801	2.2239	2.2239	1.0801
H4	1.0801	2.2239	2.2239		2.5156	2.5156	1.8158	3.1025	3.1025
H5	2.2239	1.0801	2.2239	2.5156		2.5156	3.1025	1.8158	3.1025
H6	2.2239	2.2239	1.0801	2.5156	2.5156		3.1025	3.1025	1.8158
H7	1.0801	2.2239	2.2239	1.8158	3.1025	3.1025		2.5156	2.5156
H8	2.2239	1.0801	2.2239	3.1025	1.8158	3.1025	2.5156		2.5156
H9	2.2239	2.2239	1.0801	3.1025	3.1025	1.8158	2.5156	2.5156

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.979
C1	C2	H8	117.979	C1	C3	C2	60.000
C1	C3	H6	117.979	C1	C3	H9	117.979
C2	C1	C3	60.000	C2	C1	H4	117.979
C2	C1	H7	117.979	C2	C3	H6	117.979
C2	C3	H9	117.979	C3	C1	H4	117.979
C3	C1	H7	117.979	C3	C2	H5	117.979
C3	C2	H8	117.979	H4	C1	H7	114.397
H5	C2	H8	114.397	H6	C3	H9	114.397

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: HF/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	1.156
2	C	1.156
3	C	1.156
4	H	-0.578
5	H	-0.578
6	H	-0.578
7	H	-0.578
8	H	-0.578
9	H	-0.578

<r²>	43.711
(<r²>)^1/2	6.611

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: HF/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)