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	hartrees
Energy at 0K	-117.575491
Energy at 298.15K	-117.581946
HF Energy	-117.098971
Nuclear repulsion energy	76.290368

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3242	2996	0.00
2	A₁'	1591	1470	0.00
3	A₁'	1264	1168	0.00
4	A₁"	1207	1115	0.00
5	A₂'	1152	1064	0.00
6	A₂"	3334	3081	25.54
7	A₂"	885	818	0.26
8	E'	3230	2985	18.96
8	E'	3230	2985	18.96
9	E'	1533	1417	0.94
9	E'	1533	1417	0.94
10	E'	1114	1029	6.50
10	E'	1114	1029	6.50
11	E'	935	864	22.29
11	E'	935	864	22.29
12	E"	3314	3062	0.00
12	E"	3314	3062	0.00
13	E"	1262	1166	0.00
13	E"	1262	1166	0.00
14	E"	769	711	0.00
14	E"	769	711	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.864	0.000
C2	0.748	-0.432	0.000
C3	-0.748	-0.432	0.000
H4	0.000	1.446	0.904
H5	1.252	-0.723	0.904
H6	-1.252	-0.723	0.904
H7	0.000	1.446	-0.904
H8	1.252	-0.723	-0.904
H9	-1.252	-0.723	-0.904

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4966	1.4966	1.0749	2.2143	2.2143	1.0749	2.2143	2.2143
C2	1.4966		1.4966	2.2143	1.0749	2.2143	2.2143	1.0749	2.2143
C3	1.4966	1.4966		2.2143	2.2143	1.0749	2.2143	2.2143	1.0749
H4	1.0749	2.2143	2.2143		2.5042	2.5042	1.8078	3.0886	3.0886
H5	2.2143	1.0749	2.2143	2.5042		2.5042	3.0886	1.8078	3.0886
H6	2.2143	2.2143	1.0749	2.5042	2.5042		3.0886	3.0886	1.8078
H7	1.0749	2.2143	2.2143	1.8078	3.0886	3.0886		2.5042	2.5042
H8	2.2143	1.0749	2.2143	3.0886	1.8078	3.0886	2.5042		2.5042
H9	2.2143	2.2143	1.0749	3.0886	3.0886	1.8078	2.5042	2.5042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.949
C1	C2	H8	117.949	C1	C3	C2	60.000
C1	C3	H6	117.949	C1	C3	H9	117.949
C2	C1	C3	60.000	C2	C1	H4	117.949
C2	C1	H7	117.949	C2	C3	H6	117.949
C2	C3	H9	117.949	C3	C1	H4	117.949
C3	C1	H7	117.949	C3	C2	H5	117.949
C3	C2	H8	117.949	H4	C1	H7	114.471
H5	C2	H8	114.471	H6	C3	H9	114.471

All results from a given calculation for C₃H₆ (Cyclopropane)

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

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/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)