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	hartrees
Energy at 0K	-117.879167
Energy at 298.15K
HF Energy	-117.879167
Nuclear repulsion energy	76.123361

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁'	3175	3175	0.00	622.29	0.00	0.00
2	A₁'	1531	1531	0.00	4.76	0.29	0.45
3	A₁'	1240	1240	0.00	11.70	0.06	0.11
4	A₁"	1157	1157	0.00	0.00	0.75	0.86
5	A₂'	1086	1086	0.00	0.02	0.75	0.86
6	A₂"	3265	3265	17.31	0.04	0.75	0.86
7	A₂"	861	861	0.65	0.00	0.75	0.86
8	E'	3168	3168	15.58	64.94	0.75	0.86
8	E'	3168	3168	15.49	60.93	0.75	0.86
9	E'	1474	1474	1.29	12.35	0.75	0.86
9	E'	1474	1474	1.29	12.12	0.75	0.85
10	E'	1054	1054	7.55	1.53	0.74	0.85
10	E'	1054	1054	7.52	1.10	0.75	0.86
11	E'	923	923	21.52	7.92	0.75	0.86
11	E'	923	923	21.58	7.63	0.75	0.86
12	E"	3246	3246	0.00	243.48	0.75	0.86
12	E"	3246	3246	0.00	235.76	0.75	0.86
13	E"	1211	1211	0.00	1.35	0.75	0.86
13	E"	1211	1211	0.00	1.29	0.75	0.86
14	E"	745	745	0.00	0.89	0.75	0.86
14	E"	745	745	0.00	0.81	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.865	0.000
C2	0.749	-0.433	0.000
C3	-0.749	-0.433	0.000
H4	0.000	1.448	0.909
H5	1.254	-0.724	0.909
H6	-1.254	-0.724	0.909
H7	0.000	1.448	-0.909
H8	1.254	-0.724	-0.909
H9	-1.254	-0.724	-0.909

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.4986	1.4986	1.0794	2.2187	2.2187	1.0794	2.2187	2.2187
C2	1.4986		1.4986	2.2187	1.0794	2.2187	2.2187	1.0794	2.2187
C3	1.4986	1.4986		2.2187	2.2187	1.0794	2.2187	2.2187	1.0794
H4	1.0794	2.2187	2.2187		2.5074	2.5074	1.8175	3.0968	3.0968
H5	2.2187	1.0794	2.2187	2.5074		2.5074	3.0968	1.8175	3.0968
H6	2.2187	2.2187	1.0794	2.5074	2.5074		3.0968	3.0968	1.8175
H7	1.0794	2.2187	2.2187	1.8175	3.0968	3.0968		2.5074	2.5074
H8	2.2187	1.0794	2.2187	3.0968	1.8175	3.0968	2.5074		2.5074
H9	2.2187	2.2187	1.0794	3.0968	3.0968	1.8175	2.5074	2.5074

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.859
C1	C2	H8	117.859	C1	C3	C2	60.000
C1	C3	H6	117.859	C1	C3	H9	117.859
C2	C1	C3	60.000	C2	C1	H4	117.859
C2	C1	H7	117.859	C2	C3	H6	117.859
C2	C3	H9	117.859	C3	C1	H4	117.859
C3	C1	H7	117.859	C3	C2	H5	117.859
C3	C2	H8	117.859	H4	C1	H7	114.688
H5	C2	H8	114.688	H6	C3	H9	114.688

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: M06-2X/daug-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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Number	Element	Mulliken
1	C	-1.160
2	C	-1.160
3	C	-1.160
4	H	0.580
5	H	0.580
6	H	0.580
7	H	0.580
8	H	0.580
9	H	0.580

<r²>	43.521
(<r²>)^1/2	6.597

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: M06-2X/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)