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	hartrees
Energy at 0K	-117.840230
Energy at 298.15K
HF Energy	-117.840230
Nuclear repulsion energy	75.505752

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'	3075	3075	0.00	272.36	0.04	0.07
2	A₁'	1500	1500	0.00	2.84	0.73	0.84
3	A₁'	1200	1200	0.00	29.30	0.08	0.14
4	A₁"	1135	1135	0.00	0.00	0.75	0.86
5	A₂'	1044	1044	0.00	0.00	0.75	0.86
6	A₂"	3166	3166	67.93	0.00	0.75	0.86
7	A₂"	855	855	0.46	0.00	0.75	0.86
8	E'	3067	3067	45.39	26.66	0.75	0.86
8	E'	3067	3067	45.39	26.66	0.75	0.86
9	E'	1455	1455	1.21	7.96	0.75	0.86
9	E'	1455	1455	1.21	7.96	0.75	0.86
10	E'	1022	1022	11.54	0.19	0.75	0.86
10	E'	1022	1022	11.54	0.19	0.75	0.86
11	E'	882	882	19.15	11.85	0.75	0.86
11	E'	882	882	19.15	11.85	0.75	0.86
12	E"	3142	3142	0.00	109.53	0.75	0.86
12	E"	3142	3142	0.00	109.53	0.75	0.86
13	E"	1198	1198	0.00	6.10	0.75	0.86
13	E"	1198	1198	0.00	6.10	0.75	0.86
14	E"	733	733	0.00	1.59	0.75	0.86
14	E"	733	733	0.00	1.59	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.872	0.000
C2	0.755	-0.436	0.000
C3	-0.755	-0.436	0.000
H4	0.000	1.464	0.913
H5	1.268	-0.732	0.913
H6	-1.268	-0.732	0.913
H7	0.000	1.464	-0.913
H8	1.268	-0.732	-0.913
H9	-1.268	-0.732	-0.913

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5100	1.5100	1.0885	2.2389	2.2389	1.0885	2.2389	2.2389
C2	1.5100		1.5100	2.2389	1.0885	2.2389	2.2389	1.0885	2.2389
C3	1.5100	1.5100		2.2389	2.2389	1.0885	2.2389	2.2389	1.0885
H4	1.0885	2.2389	2.2389		2.5351	2.5351	1.8270	3.1248	3.1248
H5	2.2389	1.0885	2.2389	2.5351		2.5351	3.1248	1.8270	3.1248
H6	2.2389	2.2389	1.0885	2.5351	2.5351		3.1248	3.1248	1.8270
H7	1.0885	2.2389	2.2389	1.8270	3.1248	3.1248		2.5351	2.5351
H8	2.2389	1.0885	2.2389	3.1248	1.8270	3.1248	2.5351		2.5351
H9	2.2389	2.2389	1.0885	3.1248	3.1248	1.8270	2.5351	2.5351

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.093
C1	C2	H8	118.093	C1	C3	C2	60.000
C1	C3	H6	118.093	C1	C3	H9	118.093
C2	C1	C3	60.000	C2	C1	H4	118.093
C2	C1	H7	118.093	C2	C3	H6	118.093
C2	C3	H9	118.093	C3	C1	H4	118.093
C3	C1	H7	118.093	C3	C2	H5	118.093
C3	C2	H8	118.093	H4	C1	H7	114.122
H5	C2	H8	114.122	H6	C3	H9	114.122

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B97D3/6-311G*

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	-0.413
2	C	-0.413
3	C	-0.413
4	H	0.207
5	H	0.207
6	H	0.207
7	H	0.207
8	H	0.207
9	H	0.207

<r²>	44.000
(<r²>)^1/2	6.633

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: B97D3/6-311G*

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)