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	hartrees
Energy at 0K	-117.740991
Energy at 298.15K	-117.747354
HF Energy	-117.099475
Nuclear repulsion energy	75.877485

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3150	3150
2	A₁'	1531	1531
3	A₁'	1222	1222
4	A₁"	1164	1164
5	A₂'	1093	1093
6	A₂"	3243	3243
7	A₂"	857	857
8	E'	3139	3139
8	E'	3139	3139
9	E'	1478	1478
9	E'	1478	1478
10	E'	1060	1060
10	E'	1059	1059
11	E'	900	900
11	E'	900	900
12	E"	3224	3224
12	E"	3224	3224
13	E"	1218	1218
13	E"	1218	1218
14	E"	743	743
14	E"	742	742

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.869	0.000
C2	0.753	-0.434	0.000
C3	-0.753	-0.434	0.000
H4	0.000	1.452	0.910
H5	1.257	-0.726	0.910
H6	-1.257	-0.726	0.910
H7	0.000	1.452	-0.910
H8	1.257	-0.726	-0.910
H9	-1.257	-0.726	-0.910

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5050	1.5050	1.0809	2.2256	2.2256	1.0809	2.2256	2.2256
C2	1.5050		1.5050	2.2256	1.0809	2.2256	2.2256	1.0809	2.2256
C3	1.5050	1.5050		2.2256	2.2256	1.0809	2.2256	2.2256	1.0809
H4	1.0809	2.2256	2.2256		2.5148	2.5148	1.8205	3.1045	3.1045
H5	2.2256	1.0809	2.2256	2.5148		2.5148	3.1045	1.8205	3.1045
H6	2.2256	2.2256	1.0809	2.5148	2.5148		3.1045	3.1045	1.8205
H7	1.0809	2.2256	2.2256	1.8205	3.1045	3.1045		2.5148	2.5148
H8	2.2256	1.0809	2.2256	3.1045	1.8205	3.1045	2.5148		2.5148
H9	2.2256	2.2256	1.0809	3.1045	3.1045	1.8205	2.5148	2.5148

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.844
C1	C2	H8	117.844	C1	C3	C2	60.000
C1	C3	H6	117.844	C1	C3	H9	117.844
C2	C1	C3	60.000	C2	C1	H4	117.844
C2	C1	H7	117.844	C2	C3	H6	117.844
C2	C3	H9	117.844	C3	C1	H4	117.844
C3	C1	H7	117.844	C3	C2	H5	117.844
C3	C2	H8	117.844	H4	C1	H7	114.724
H5	C2	H8	114.724	H6	C3	H9	114.724

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CCSD(T)=FULL/6-311+G(3df,2pd)

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: CCSD(T)=FULL/6-311+G(3df,2pd)

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)