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	hartrees
Energy at 0K	-117.900783
Energy at 298.15K
HF Energy	-117.900783
Nuclear repulsion energy	76.043395

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'	3160	3160	0.00	294.51	0.03	0.05
2	A₁'	1532	1532	0.00	2.12	0.70	0.83
3	A₁'	1219	1219	0.00	73.66	0.07	0.13
4	A₁"	1160	1160	0.00	0.00	0.75	0.86
5	A₂'	1100	1100	0.00	0.00	0.75	0.86
6	A₂"	3251	3251	28.79	0.00	0.75	0.86
7	A₂"	865	865	0.58	0.00	0.75	0.86
8	E'	3150	3150	22.80	28.67	0.75	0.86
8	E'	3150	3150	22.78	28.34	0.75	0.86
9	E'	1481	1481	1.55	6.16	0.75	0.86
9	E'	1481	1481	1.55	6.36	0.75	0.86
10	E'	1064	1064	8.42	0.60	0.75	0.86
10	E'	1064	1064	8.41	0.58	0.75	0.86
11	E'	898	898	22.07	11.46	0.75	0.86
11	E'	898	898	22.06	11.42	0.75	0.86
12	E"	3230	3230	0.00	96.16	0.75	0.86
12	E"	3230	3230	0.00	96.00	0.75	0.86
13	E"	1218	1218	0.00	2.56	0.75	0.86
13	E"	1218	1218	0.00	2.62	0.75	0.86
14	E"	751	751	0.00	0.12	0.75	0.86
14	E"	751	751	0.00	0.14	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.866	0.000
C2	0.750	-0.433	0.000
C3	-0.750	-0.433	0.000
H4	0.000	1.451	0.908
H5	1.256	-0.725	0.908
H6	-1.256	-0.725	0.908
H7	0.000	1.451	-0.908
H8	1.256	-0.725	-0.908
H9	-1.256	-0.725	-0.908

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5001	1.5001	1.0803	2.2218	2.2218	1.0803	2.2218	2.2218
C2	1.5001		1.5001	2.2218	1.0803	2.2218	2.2218	1.0803	2.2218
C3	1.5001	1.5001		2.2218	2.2218	1.0803	2.2218	2.2218	1.0803
H4	1.0803	2.2218	2.2218		2.5128	2.5128	1.8168	3.1008	3.1008
H5	2.2218	1.0803	2.2218	2.5128		2.5128	3.1008	1.8168	3.1008
H6	2.2218	2.2218	1.0803	2.5128	2.5128		3.1008	3.1008	1.8168
H7	1.0803	2.2218	2.2218	1.8168	3.1008	3.1008		2.5128	2.5128
H8	2.2218	1.0803	2.2218	3.1008	1.8168	3.1008	2.5128		2.5128
H9	2.2218	2.2218	1.0803	3.1008	3.1008	1.8168	2.5128	2.5128

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.950
C1	C2	H8	117.950	C1	C3	C2	60.000
C1	C3	H6	117.950	C1	C3	H9	117.950
C2	C1	C3	60.000	C2	C1	H4	117.950
C2	C1	H7	117.950	C2	C3	H6	117.950
C2	C3	H9	117.950	C3	C1	H4	117.950
C3	C1	H7	117.950	C3	C2	H5	117.950
C3	C2	H8	117.950	H4	C1	H7	114.467
H5	C2	H8	114.467	H6	C3	H9	114.467

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: wB97X-D/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	-1.017
2	C	-1.017
3	C	-1.017
4	H	0.509
5	H	0.509
6	H	0.509
7	H	0.509
8	H	0.509
9	H	0.509

<r²>	43.490
(<r²>)^1/2	6.595

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: wB97X-D/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)