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	hartrees
Energy at 0K	-20.576243
Energy at 298.15K	-20.582511
HF Energy	-20.576243
Nuclear repulsion energy	42.588577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3165	3030	0.00
2	A₁'	1531	1466	0.00
3	A₁'	1221	1169	0.00
4	A₁"	1136	1087	0.00
5	A₂'	1044	999	0.00
6	A₂"	3263	3123	68.30
7	A₂"	829	793	3.20
8	E'	3154	3019	37.51
8	E'	3154	3019	37.53
9	E'	1450	1388	1.50
9	E'	1450	1388	1.50
10	E'	1030	986	11.17
10	E'	1030	986	11.17
11	E'	892	854	28.34
11	E'	892	854	28.34
12	E"	3239	3100	0.00
12	E"	3239	3100	0.00
13	E"	1182	1131	0.00
13	E"	1182	1131	0.00
14	E"	705	675	0.00
14	E"	705	675	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.883	0.000
C2	0.764	-0.441	0.000
C3	-0.764	-0.441	0.000
H4	0.000	1.472	0.922
H5	1.275	-0.736	0.922
H6	-1.275	-0.736	0.922
H7	0.000	1.472	-0.922
H8	1.275	-0.736	-0.922
H9	-1.275	-0.736	-0.922

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5289	1.5289	1.0941	2.2575	2.2575	1.0941	2.2575	2.2575
C2	1.5289		1.5289	2.2575	1.0941	2.2575	2.2575	1.0941	2.2575
C3	1.5289	1.5289		2.2575	2.2575	1.0941	2.2575	2.2575	1.0941
H4	1.0941	2.2575	2.2575		2.5503	2.5503	1.8431	3.1466	3.1466
H5	2.2575	1.0941	2.2575	2.5503		2.5503	3.1466	1.8431	3.1466
H6	2.2575	2.2575	1.0941	2.5503	2.5503		3.1466	3.1466	1.8431
H7	1.0941	2.2575	2.2575	1.8431	3.1466	3.1466		2.5503	2.5503
H8	2.2575	1.0941	2.2575	3.1466	1.8431	3.1466	2.5503		2.5503
H9	2.2575	2.2575	1.0941	3.1466	3.1466	1.8431	2.5503	2.5503

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.826
C1	C2	H8	117.826	C1	C3	C2	60.000
C1	C3	H6	117.826	C1	C3	H9	117.826
C2	C1	C3	60.000	C2	C1	H4	117.827
C2	C1	H7	117.827	C2	C3	H6	117.826
C2	C3	H9	117.826	C3	C1	H4	117.827
C3	C1	H7	117.827	C3	C2	H5	117.826
C3	C2	H8	117.826	H4	C1	H7	114.767
H5	C2	H8	114.768	H6	C3	H9	114.768

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B3PW91/CEP-31G*

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	-0.363
2	C	-0.363
3	C	-0.363
4	H	0.182
5	H	0.182
6	H	0.182
7	H	0.182
8	H	0.182
9	H	0.182

<r²>	39.580
(<r²>)^1/2	6.291

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: B3PW91/CEP-31G*

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)