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	hartrees
Energy at 0K	-117.313179
Energy at 298.15K	-117.319555
HF Energy	-117.013977
Nuclear repulsion energy	73.918803

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3117	2973	0.00
2	A₁'	1526	1456	0.00
3	A₁'	1179	1124	0.00
4	A₁"	1171	1117	0.00
5	A₂'	1143	1091	0.00
6	A₂"	3215	3066	63.21
7	A₂"	875	835	2.56
8	E'	3100	2957	31.94
8	E'	3100	2957	31.94
9	E'	1492	1423	2.61
9	E'	1492	1423	2.61
10	E'	1128	1076	15.39
10	E'	1128	1076	15.39
11	E'	845	805	23.28
11	E'	845	805	23.28
12	E"	3194	3046	0.00
12	E"	3194	3046	0.00
13	E"	1226	1169	0.00
13	E"	1226	1169	0.00
14	E"	783	747	0.00
14	E"	783	747	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.897	0.000
C2	0.777	-0.449	0.000
C3	-0.777	-0.449	0.000
H4	0.000	1.491	0.922
H5	1.292	-0.746	0.922
H6	-1.292	-0.746	0.922
H7	0.000	1.491	-0.922
H8	1.292	-0.746	-0.922
H9	-1.292	-0.746	-0.922

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5540	1.5540	1.0967	2.2841	2.2841	1.0967	2.2841	2.2841
C2	1.5540		1.5540	2.2841	1.0967	2.2841	2.2841	1.0967	2.2841
C3	1.5540	1.5540		2.2841	2.2841	1.0967	2.2841	2.2841	1.0967
H4	1.0967	2.2841	2.2841		2.5831	2.5831	1.8436	3.1735	3.1735
H5	2.2841	1.0967	2.2841	2.5831		2.5831	3.1735	1.8436	3.1735
H6	2.2841	2.2841	1.0967	2.5831	2.5831		3.1735	3.1735	1.8436
H7	1.0967	2.2841	2.2841	1.8436	3.1735	3.1735		2.5831	2.5831
H8	2.2841	1.0967	2.2841	3.1735	1.8436	3.1735	2.5831		2.5831
H9	2.2841	2.2841	1.0967	3.1735	3.1735	1.8436	2.5831	2.5831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.980
C1	C2	H8	117.980	C1	C3	C2	60.000
C1	C3	H6	117.980	C1	C3	H9	117.980
C2	C1	C3	60.000	C2	C1	H4	117.980
C2	C1	H7	117.980	C2	C3	H6	117.980
C2	C3	H9	117.980	C3	C1	H4	117.980
C3	C1	H7	117.980	C3	C2	H5	117.980
C3	C2	H8	117.980	H4	C1	H7	114.395
H5	C2	H8	114.395	H6	C3	H9	114.395

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: QCISD/LANL2DZ

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: QCISD/LANL2DZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)