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	hartrees
Energy at 0K	-117.896882
Energy at 298.15K	-117.903235
HF Energy	-117.896882
Nuclear repulsion energy	76.010982

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3143	3143	0.00
2	A₁'	1517	1517	0.00
3	A₁'	1226	1226	0.00
4	A₁"	1152	1152	0.00
5	A₂'	1088	1088	0.00
6	A₂"	3234	3234	26.09
7	A₂"	857	857	0.70
8	E'	3135	3135	21.61
8	E'	3135	3135	21.61
9	E'	1468	1468	1.46
9	E'	1468	1468	1.46
10	E'	1051	1051	9.12
10	E'	1051	1051	9.12
11	E'	901	901	20.23
11	E'	901	901	20.23
12	E"	3213	3213	0.00
12	E"	3213	3213	0.00
13	E"	1208	1208	0.00
13	E"	1208	1208	0.00
14	E"	739	739	0.00
14	E"	739	739	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.866	0.000
C2	0.750	-0.433	0.000
C3	-0.750	-0.433	0.000
H4	0.000	1.453	0.908
H5	1.259	-0.727	0.908
H6	-1.259	-0.727	0.908
H7	0.000	1.453	-0.908
H8	1.259	-0.727	-0.908
H9	-1.259	-0.727	-0.908

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4997	1.4997	1.0818	2.2237	2.2237	1.0818	2.2237	2.2237
C2	1.4997		1.4997	2.2237	1.0818	2.2237	2.2237	1.0818	2.2237
C3	1.4997	1.4997		2.2237	2.2237	1.0818	2.2237	2.2237	1.0818
H4	1.0818	2.2237	2.2237		2.5170	2.5170	1.8168	3.1043	3.1043
H5	2.2237	1.0818	2.2237	2.5170		2.5170	3.1043	1.8168	3.1043
H6	2.2237	2.2237	1.0818	2.5170	2.5170		3.1043	3.1043	1.8168
H7	1.0818	2.2237	2.2237	1.8168	3.1043	3.1043		2.5170	2.5170
H8	2.2237	1.0818	2.2237	3.1043	1.8168	3.1043	2.5170		2.5170
H9	2.2237	2.2237	1.0818	3.1043	3.1043	1.8168	2.5170	2.5170

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.049
C1	C2	H8	118.049	C1	C3	C2	60.000
C1	C3	H6	118.049	C1	C3	H9	118.049
C2	C1	C3	60.000	C2	C1	H4	118.049
C2	C1	H7	118.049	C2	C3	H6	118.049
C2	C3	H9	118.049	C3	C1	H4	118.049
C3	C1	H7	118.049	C3	C2	H5	118.049
C3	C2	H8	118.049	H4	C1	H7	114.227
H5	C2	H8	114.227	H6	C3	H9	114.227

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B3PW91/6-311+G(3df,2pd)

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	-0.088
2	C	-0.088
3	C	-0.088
4	H	0.044
5	H	0.044
6	H	0.044
7	H	0.044
8	H	0.044
9	H	0.044

<r²>	43.533
(<r²>)^1/2	6.598

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: B3PW91/6-311+G(3df,2pd)

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)