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	hartrees
Energy at 0K	-117.645839
Energy at 298.15K	-117.652244
HF Energy	-117.101266
Nuclear repulsion energy	75.929484

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3184	2973	0.00
2	A₁'	1552	1449	0.00
3	A₁'	1236	1154	0.00
4	A₁"	1176	1098	0.00
5	A₂'	1113	1039	0.00
6	A₂"	3275	3058	25.44
7	A₂"	868	810	0.24
8	E'	3173	2962	18.89
8	E'	3173	2962	18.89
9	E'	1496	1397	0.84
9	E'	1496	1397	0.84
10	E'	1082	1011	7.64
10	E'	1082	1011	7.64
11	E'	912	852	20.31
11	E'	912	852	20.31
12	E"	3256	3040	0.00
12	E"	3256	3040	0.00
13	E"	1233	1152	0.00
13	E"	1233	1152	0.00
14	E"	752	702	0.00
14	E"	752	702	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.869	0.000
C2	0.752	-0.434	0.000
C3	-0.752	-0.434	0.000
H4	0.000	1.451	0.909
H5	1.257	-0.725	0.909
H6	-1.257	-0.725	0.909
H7	0.000	1.451	-0.909
H8	1.257	-0.725	-0.909
H9	-1.257	-0.725	-0.909

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5045	1.5045	1.0794	2.2239	2.2239	1.0794	2.2239	2.2239
C2	1.5045		1.5045	2.2239	1.0794	2.2239	2.2239	1.0794	2.2239
C3	1.5045	1.5045		2.2239	2.2239	1.0794	2.2239	2.2239	1.0794
H4	1.0794	2.2239	2.2239		2.5130	2.5130	1.8176	3.1015	3.1015
H5	2.2239	1.0794	2.2239	2.5130		2.5130	3.1015	1.8176	3.1015
H6	2.2239	2.2239	1.0794	2.5130	2.5130		3.1015	3.1015	1.8176
H7	1.0794	2.2239	2.2239	1.8176	3.1015	3.1015		2.5130	2.5130
H8	2.2239	1.0794	2.2239	3.1015	1.8176	3.1015	2.5130		2.5130
H9	2.2239	2.2239	1.0794	3.1015	3.1015	1.8176	2.5130	2.5130

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.853
C1	C2	H8	117.853	C1	C3	C2	60.000
C1	C3	H6	117.853	C1	C3	H9	117.853
C2	C1	C3	60.000	C2	C1	H4	117.853
C2	C1	H7	117.853	C2	C3	H6	117.853
C2	C3	H9	117.853	C3	C1	H4	117.853
C3	C1	H7	117.853	C3	C2	H5	117.853
C3	C2	H8	117.853	H4	C1	H7	114.704
H5	C2	H8	114.704	H6	C3	H9	114.704

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: CCD/cc-pVTZ

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: CCD/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)