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	hartrees
Energy at 0K	-117.909622
Energy at 298.15K	-117.915989
HF Energy	-117.909622
Nuclear repulsion energy	76.117146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3161	3161	0.00
2	A₁'	1526	1526	0.00
3	A₁'	1235	1235	0.00
4	A₁"	1159	1159	0.00
5	A₂'	1094	1094	0.00
6	A₂"	3252	3252	25.24
7	A₂"	860	860	0.70
8	E'	3152	3152	20.79
8	E'	3152	3152	20.79
9	E'	1474	1474	1.53
9	E'	1474	1474	1.53
10	E'	1057	1057	8.78
10	E'	1057	1057	8.78
11	E'	910	910	21.09
11	E'	910	910	21.09
12	E"	3231	3231	0.00
12	E"	3231	3231	0.00
13	E"	1215	1215	0.00
13	E"	1215	1215	0.00
14	E"	742	742	0.00
14	E"	742	742	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.865	0.000
C2	0.749	-0.432	0.000
C3	-0.749	-0.432	0.000
H4	0.000	1.451	0.908
H5	1.256	-0.725	0.908
H6	-1.256	-0.725	0.908
H7	0.000	1.451	-0.908
H8	1.256	-0.725	-0.908
H9	-1.256	-0.725	-0.908

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4975	1.4975	1.0805	2.2205	2.2205	1.0805	2.2205	2.2205
C2	1.4975		1.4975	2.2205	1.0805	2.2205	2.2205	1.0805	2.2205
C3	1.4975	1.4975		2.2205	2.2205	1.0805	2.2205	2.2205	1.0805
H4	1.0805	2.2205	2.2205		2.5130	2.5130	1.8151	3.0999	3.0999
H5	2.2205	1.0805	2.2205	2.5130		2.5130	3.0999	1.8151	3.0999
H6	2.2205	2.2205	1.0805	2.5130	2.5130		3.0999	3.0999	1.8151
H7	1.0805	2.2205	2.2205	1.8151	3.0999	3.0999		2.5130	2.5130
H8	2.2205	1.0805	2.2205	3.0999	1.8151	3.0999	2.5130		2.5130
H9	2.2205	2.2205	1.0805	3.0999	3.0999	1.8151	2.5130	2.5130

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.029
C1	C2	H8	118.029	C1	C3	C2	60.000
C1	C3	H6	118.029	C1	C3	H9	118.029
C2	C1	C3	60.000	C2	C1	H4	118.029
C2	C1	H7	118.029	C2	C3	H6	118.029
C2	C3	H9	118.029	C3	C1	H4	118.029
C3	C1	H7	118.029	C3	C2	H5	118.029
C3	C2	H8	118.029	H4	C1	H7	114.276
H5	C2	H8	114.276	H6	C3	H9	114.276

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: mPW1PW91/6-311+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	-0.063
2	C	-0.063
3	C	-0.063
4	H	0.032
5	H	0.032
6	H	0.032
7	H	0.032
8	H	0.032
9	H	0.032

<r²>	43.442
(<r²>)^1/2	6.591

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: mPW1PW91/6-311+G(3df,2pd)

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)