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	hartrees
Energy at 0K	-117.761441
Energy at 298.15K
HF Energy	-117.761441
Nuclear repulsion energy	75.660985

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'	3159	3038	0.00	285.07	0.03	0.07
2	A₁'	1506	1449	0.00	3.46	0.64	0.78
3	A₁'	1243	1195	0.00	32.27	0.10	0.18
4	A₁"	1141	1098	0.00	0.00	0.75	0.86
5	A₂'	1067	1027	0.00	0.00	0.75	0.86
6	A₂"	3257	3133	22.52	0.00	0.75	0.86
7	A₂"	853	820	0.97	0.00	0.75	0.86
8	E'	3149	3029	20.21	23.07	0.75	0.86
8	E'	3149	3029	20.21	23.07	0.75	0.86
9	E'	1438	1383	1.47	8.34	0.75	0.86
9	E'	1438	1383	1.47	8.34	0.75	0.86
10	E'	1049	1009	5.91	0.59	0.75	0.86
10	E'	1049	1009	5.91	0.59	0.75	0.86
11	E'	919	884	20.48	12.97	0.75	0.86
11	E'	919	884	20.48	12.97	0.75	0.86
12	E"	3237	3114	0.00	108.00	0.75	0.86
12	E"	3237	3114	0.00	108.00	0.75	0.86
13	E"	1197	1151	0.00	8.08	0.75	0.86
13	E"	1197	1151	0.00	8.08	0.75	0.86
14	E"	729	702	0.00	2.11	0.75	0.86
14	E"	729	702	0.00	2.11	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.868	0.000
C2	0.751	-0.434	0.000
C3	-0.751	-0.434	0.000
H4	0.000	1.461	0.917
H5	1.265	-0.730	0.917
H6	-1.265	-0.730	0.917
H7	0.000	1.461	-0.917
H8	1.265	-0.730	-0.917
H9	-1.265	-0.730	-0.917

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5028	1.5028	1.0921	2.2348	2.2348	1.0921	2.2348	2.2348
C2	1.5028		1.5028	2.2348	1.0921	2.2348	2.2348	1.0921	2.2348
C3	1.5028	1.5028		2.2348	2.2348	1.0921	2.2348	2.2348	1.0921
H4	1.0921	2.2348	2.2348		2.5298	2.5298	1.8341	3.1247	3.1247
H5	2.2348	1.0921	2.2348	2.5298		2.5298	3.1247	1.8341	3.1247
H6	2.2348	2.2348	1.0921	2.5298	2.5298		3.1247	3.1247	1.8341
H7	1.0921	2.2348	2.2348	1.8341	3.1247	3.1247		2.5298	2.5298
H8	2.2348	1.0921	2.2348	3.1247	1.8341	3.1247	2.5298		2.5298
H9	2.2348	2.2348	1.0921	3.1247	3.1247	1.8341	2.5298	2.5298

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.051
C1	C2	H8	118.051	C1	C3	C2	60.000
C1	C3	H6	118.051	C1	C3	H9	118.051
C2	C1	C3	60.000	C2	C1	H4	118.051
C2	C1	H7	118.051	C2	C3	H6	118.051
C2	C3	H9	118.051	C3	C1	H4	118.051
C3	C1	H7	118.051	C3	C2	H5	118.051
C3	C2	H8	118.051	H4	C1	H7	114.223
H5	C2	H8	114.223	H6	C3	H9	114.223

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: HSEh1PBE/cc-pVDZ

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	-0.096
2	C	-0.096
3	C	-0.096
4	H	0.048
5	H	0.048
6	H	0.048
7	H	0.048
8	H	0.048
9	H	0.048

<r²>	43.746
(<r²>)^1/2	6.614

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)