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	hartrees
Energy at 0K	-117.173141
Energy at 298.15K
HF Energy	-117.173141
Nuclear repulsion energy	75.545486

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'	3202	3063	0.00	201.66	0.04	0.08
2	A₁'	1545	1478	0.00	7.90	0.72	0.84
3	A₁'	1189	1138	0.00	25.30	0.08	0.14
4	A₁"	1172	1121	0.00	0.00	0.75	0.86
5	A₂'	1142	1093	0.00	0.00	0.75	0.86
6	A₂"	3299	3156	18.38	0.00	0.75	0.86
7	A₂"	865	827	1.58	0.00	0.75	0.86
8	E'	3193	3054	15.47	15.70	0.75	0.86
8	E'	3193	3054	15.47	15.70	0.75	0.86
9	E'	1515	1450	5.06	8.76	0.75	0.86
9	E'	1515	1450	5.06	8.76	0.75	0.86
10	E'	1093	1046	26.56	0.05	0.75	0.86
10	E'	1093	1046	26.56	0.05	0.75	0.86
11	E'	886	847	16.78	16.37	0.75	0.86
11	E'	886	847	16.78	16.37	0.75	0.86
12	E"	3275	3134	0.00	81.51	0.75	0.86
12	E"	3275	3134	0.00	81.51	0.75	0.86
13	E"	1232	1178	0.00	12.77	0.75	0.86
13	E"	1232	1178	0.00	12.77	0.75	0.86
14	E"	767	734	0.00	3.45	0.75	0.86
14	E"	767	734	0.00	3.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.875	0.000
C2	0.758	-0.437	0.000
C3	-0.758	-0.437	0.000
H4	0.000	1.456	0.912
H5	1.261	-0.728	0.912
H6	-1.261	-0.728	0.912
H7	0.000	1.456	-0.912
H8	1.261	-0.728	-0.912
H9	-1.261	-0.728	-0.912

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5154	1.5154	1.0810	2.2336	2.2336	1.0810	2.2336	2.2336
C2	1.5154		1.5154	2.2336	1.0810	2.2336	2.2336	1.0810	2.2336
C3	1.5154	1.5154		2.2336	2.2336	1.0810	2.2336	2.2336	1.0810
H4	1.0810	2.2336	2.2336		2.5211	2.5211	1.8236	3.1115	3.1115
H5	2.2336	1.0810	2.2336	2.5211		2.5211	3.1115	1.8236	3.1115
H6	2.2336	2.2336	1.0810	2.5211	2.5211		3.1115	3.1115	1.8236
H7	1.0810	2.2336	2.2336	1.8236	3.1115	3.1115		2.5211	2.5211
H8	2.2336	1.0810	2.2336	3.1115	1.8236	3.1115	2.5211		2.5211
H9	2.2336	2.2336	1.0810	3.1115	3.1115	1.8236	2.5211	2.5211

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.721
C1	C2	H8	117.721	C1	C3	C2	60.000
C1	C3	H6	117.721	C1	C3	H9	117.721
C2	C1	C3	60.000	C2	C1	H4	117.721
C2	C1	H7	117.721	C2	C3	H6	117.721
C2	C3	H9	117.721	C3	C1	H4	117.721
C3	C1	H7	117.721	C3	C2	H5	117.721
C3	C2	H8	117.721	H4	C1	H7	115.022
H5	C2	H8	115.022	H6	C3	H9	115.022

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B1B95/3-21G

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	-0.448
2	C	-0.448
3	C	-0.448
4	H	0.224
5	H	0.224
6	H	0.224
7	H	0.224
8	H	0.224
9	H	0.224

<r²>	43.750
(<r²>)^1/2	6.614

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: B1B95/3-21G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)