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	hartrees
Energy at 0K	-117.867725
Energy at 298.15K	-117.874080
Nuclear repulsion energy	75.714099

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3158	3032	0.00
2	A₁'	1528	1467	0.00
3	A₁'	1231	1182	0.00
4	A₁"	1148	1102	0.00
5	A₂'	1083	1039	0.00
6	A₂"	3250	3121	29.40
7	A₂"	862	827	1.09
8	E'	3149	3024	25.65
8	E'	3149	3024	25.65
9	E'	1472	1413	1.16
9	E'	1472	1413	1.16
10	E'	1055	1013	13.22
10	E'	1055	1013	13.22
11	E'	904	868	25.05
11	E'	904	868	25.06
12	E"	3231	3102	0.00
12	E"	3231	3102	0.00
13	E"	1210	1161	0.00
13	E"	1210	1161	0.00
14	E"	742	713	0.00
14	E"	742	713	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.869	0.000
C2	0.753	-0.435	0.000
C3	-0.753	-0.435	0.000
H4	0.000	1.460	0.912
H5	1.264	-0.730	0.912
H6	-1.264	-0.730	0.912
H7	0.000	1.460	-0.912
H8	1.264	-0.730	-0.912
H9	-1.264	-0.730	-0.912

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5053	1.5053	1.0862	2.2328	2.2328	1.0862	2.2328	2.2328
C2	1.5053		1.5053	2.2328	1.0862	2.2328	2.2328	1.0862	2.2328
C3	1.5053	1.5053		2.2328	2.2328	1.0862	2.2328	2.2328	1.0862
H4	1.0862	2.2328	2.2328		2.5280	2.5280	1.8234	3.1170	3.1170
H5	2.2328	1.0862	2.2328	2.5280		2.5280	3.1170	1.8234	3.1170
H6	2.2328	2.2328	1.0862	2.5280	2.5280		3.1170	3.1170	1.8234
H7	1.0862	2.2328	2.2328	1.8234	3.1170	3.1170		2.5280	2.5280
H8	2.2328	1.0862	2.2328	3.1170	1.8234	3.1170	2.5280		2.5280
H9	2.2328	2.2328	1.0862	3.1170	3.1170	1.8234	2.5280	2.5280

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.083
C1	C2	H8	118.083	C1	C3	C2	60.000
C1	C3	H6	118.083	C1	C3	H9	118.083
C2	C1	C3	60.000	C2	C1	H4	118.083
C2	C1	H7	118.083	C2	C3	H6	118.083
C2	C3	H9	118.083	C3	C1	H4	118.083
C3	C1	H7	118.083	C3	C2	H5	118.083
C3	C2	H8	118.083	H4	C1	H7	114.145
H5	C2	H8	114.145	H6	C3	H9	114.145

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B3PW91/6-31+G**

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	-0.327
2	C	-0.327
3	C	-0.327
4	H	0.163
5	H	0.163
6	H	0.163
7	H	0.163
8	H	0.163
9	H	0.163

<r²>	43.804
(<r²>)^1/2	6.618

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: B3PW91/6-31+G**

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)