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	hartrees
Energy at 0K	-117.490745
Energy at 298.15K	-117.497158
HF Energy	-117.071077
Nuclear repulsion energy	75.520467

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3236	3236	0.00
2	A₁'	1569	1569	0.00
3	A₁'	1254	1254	0.00
4	A₁"	1180	1180	0.00
5	A₂'	1109	1109	0.00
6	A₂"	3329	3329	32.17
7	A₂"	868	868	0.16
8	E'	3221	3221	21.63
8	E'	3221	3221	21.63
9	E'	1507	1507	0.52
9	E'	1507	1507	0.52
10	E'	1085	1085	5.51
10	E'	1085	1085	5.51
11	E'	921	921	22.07
11	E'	921	921	22.07
12	E"	3309	3309	0.00
12	E"	3309	3309	0.00
13	E"	1239	1239	0.00
13	E"	1239	1239	0.00
14	E"	751	751	0.00
14	E"	751	751	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	1.459	0.915
H5	1.264	-0.730	0.915
H6	-1.264	-0.730	0.915
H7	0.000	1.459	-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		1.5114	1.5114	1.0868	2.2363	2.2363	1.0868	2.2363	2.2363
C2	1.5114		1.5114	2.2363	1.0868	2.2363	2.2363	1.0868	2.2363
C3	1.5114	1.5114		2.2363	2.2363	1.0868	2.2363	2.2363	1.0868
H4	1.0868	2.2363	2.2363		2.5275	2.5275	1.8298	3.1203	3.1203
H5	2.2363	1.0868	2.2363	2.5275		2.5275	3.1203	1.8298	3.1203
H6	2.2363	2.2363	1.0868	2.5275	2.5275		3.1203	3.1203	1.8298
H7	1.0868	2.2363	2.2363	1.8298	3.1203	3.1203		2.5275	2.5275
H8	2.2363	1.0868	2.2363	3.1203	1.8298	3.1203	2.5275		2.5275
H9	2.2363	2.2363	1.0868	3.1203	3.1203	1.8298	2.5275	2.5275

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.869
C1	C2	H8	117.869	C1	C3	C2	60.000
C1	C3	H6	117.869	C1	C3	H9	117.869
C2	C1	C3	60.000	C2	C1	H4	117.869
C2	C1	H7	117.869	C2	C3	H6	117.869
C2	C3	H9	117.869	C3	C1	H4	117.869
C3	C1	H7	117.869	C3	C2	H5	117.869
C3	C2	H8	117.869	H4	C1	H7	114.664
H5	C2	H8	114.664	H6	C3	H9	114.664

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CID/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: CID/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)