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	hartrees
Energy at 0K	-117.492137
Energy at 298.15K	-117.498547
HF Energy	-117.071052
Nuclear repulsion energy	75.499404

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3232	3232	0.00
2	A₁'	1568	1568	0.00
3	A₁'	1252	1252	0.00
4	A₁"	1180	1180	0.00
5	A₂'	1107	1107	0.00
6	A₂"	3325	3325	33.42
7	A₂"	867	867	0.16
8	E'	3217	3217	22.47
8	E'	3217	3217	22.47
9	E'	1505	1505	0.47
9	E'	1505	1505	0.47
10	E'	1084	1084	5.45
10	E'	1084	1084	5.45
11	E'	918	918	21.90
11	E'	918	918	21.90
12	E"	3304	3304	0.00
12	E"	3304	3304	0.00
13	E"	1238	1238	0.00
13	E"	1238	1238	0.00
14	E"	750	750	0.00
14	E"	750	750	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.873	0.000
C2	0.756	-0.436	0.000
C3	-0.756	-0.436	0.000
H4	0.000	1.460	0.915
H5	1.264	-0.730	0.915
H6	-1.264	-0.730	0.915
H7	0.000	1.460	-0.915
H8	1.264	-0.730	-0.915
H9	-1.264	-0.730	-0.915

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5119	1.5119	1.0870	2.2370	2.2370	1.0870	2.2370	2.2370
C2	1.5119		1.5119	2.2370	1.0870	2.2370	2.2370	1.0870	2.2370
C3	1.5119	1.5119		2.2370	2.2370	1.0870	2.2370	2.2370	1.0870
H4	1.0870	2.2370	2.2370		2.5283	2.5283	1.8301	3.1211	3.1211
H5	2.2370	1.0870	2.2370	2.5283		2.5283	3.1211	1.8301	3.1211
H6	2.2370	2.2370	1.0870	2.5283	2.5283		3.1211	3.1211	1.8301
H7	1.0870	2.2370	2.2370	1.8301	3.1211	3.1211		2.5283	2.5283
H8	2.2370	1.0870	2.2370	3.1211	1.8301	3.1211	2.5283		2.5283
H9	2.2370	2.2370	1.0870	3.1211	3.1211	1.8301	2.5283	2.5283

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.872
C1	C2	H8	117.872	C1	C3	C2	60.000
C1	C3	H6	117.872	C1	C3	H9	117.872
C2	C1	C3	60.000	C2	C1	H4	117.872
C2	C1	H7	117.872	C2	C3	H6	117.872
C2	C3	H9	117.872	C3	C1	H4	117.872
C3	C1	H7	117.872	C3	C2	H5	117.872
C3	C2	H8	117.872	H4	C1	H7	114.656
H5	C2	H8	114.656	H6	C3	H9	114.656

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CISD/aug-cc-pVDZ

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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All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: CISD/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)