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	hartrees
Energy at 0K	-20.140145
Energy at 298.15K	-20.146488
HF Energy	-19.855174
Nuclear repulsion energy	41.778747

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3110	2966	0.00
2	A₁'	1524	1453	0.00
3	A₁'	1179	1125	0.00
4	A₁"	1158	1105	0.00
5	A₂'	1113	1061	0.00
6	A₂"	3211	3063	106.76
7	A₂"	854	814	2.21
8	E'	3092	2949	42.14
8	E'	3092	2949	42.14
9	E'	1473	1405	1.62
9	E'	1473	1405	1.62
10	E'	1106	1055	13.42
10	E'	1106	1055	13.42
11	E'	843	804	25.73
11	E'	843	804	25.73
12	E"	3189	3041	0.00
12	E"	3189	3041	0.00
13	E"	1207	1151	0.00
13	E"	1207	1151	0.00
14	E"	764	728	0.00
14	E"	764	728	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.906	0.000
C2	0.785	-0.453	0.000
C3	-0.785	-0.453	0.000
H4	0.000	1.502	0.930
H5	1.301	-0.751	0.930
H6	-1.301	-0.751	0.930
H7	0.000	1.502	-0.930
H8	1.301	-0.751	-0.930
H9	-1.301	-0.751	-0.930

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5692	1.5692	1.1048	2.3029	2.3029	1.1048	2.3029	2.3029
C2	1.5692		1.5692	2.3029	1.1048	2.3029	2.3029	1.1048	2.3029
C3	1.5692	1.5692		2.3029	2.3029	1.1048	2.3029	2.3029	1.1048
H4	1.1048	2.3029	2.3029		2.6017	2.6017	1.8604	3.1984	3.1984
H5	2.3029	1.1048	2.3029	2.6017		2.6017	3.1984	1.8604	3.1984
H6	2.3029	2.3029	1.1048	2.6017	2.6017		3.1984	3.1984	1.8604
H7	1.1048	2.3029	2.3029	1.8604	3.1984	3.1984		2.6017	2.6017
H8	2.3029	1.1048	2.3029	3.1984	1.8604	3.1984	2.6017		2.6017
H9	2.3029	2.3029	1.1048	3.1984	3.1984	1.8604	2.6017	2.6017

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.856
C1	C2	H8	117.856	C1	C3	C2	60.000
C1	C3	H6	117.856	C1	C3	H9	117.856
C2	C1	C3	60.000	C2	C1	H4	117.856
C2	C1	H7	117.856	C2	C3	H6	117.856
C2	C3	H9	117.856	C3	C1	H4	117.856
C3	C1	H7	117.856	C3	C2	H5	117.856
C3	C2	H8	117.856	H4	C1	H7	114.696
H5	C2	H8	114.696	H6	C3	H9	114.696

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: QCISD/CEP-31G

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/CEP-31G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)