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	hartrees
Energy at 0K	-117.952039
Energy at 298.15K
HF Energy	-117.952039
Nuclear repulsion energy	75.838638

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'	3132	3023	0.00	339.48	0.02	0.04
2	A₁'	1520	1467	0.00	1.63	0.26	0.41
3	A₁'	1214	1172	0.00	44.73	0.06	0.11
4	A₁"	1157	1117	0.00	0.00	0.75	0.86
5	A₂'	1084	1046	0.00	0.00	0.75	0.86
6	A₂"	3221	3109	34.69	0.00	0.75	0.86
7	A₂"	848	818	0.48	0.00	0.75	0.86
8	E'	3124	3015	27.39	26.33	0.75	0.86
8	E'	3124	3015	27.38	26.34	0.75	0.86
9	E'	1478	1426	0.53	4.90	0.75	0.86
9	E'	1478	1426	0.53	4.90	0.75	0.86
10	E'	1050	1013	8.30	0.88	0.75	0.86
10	E'	1050	1013	8.30	0.88	0.75	0.86
11	E'	895	864	18.24	7.21	0.75	0.86
11	E'	895	864	18.25	7.27	0.75	0.86
12	E"	3199	3088	0.00	102.04	0.75	0.86
12	E"	3199	3088	0.00	102.06	0.75	0.86
13	E"	1213	1171	0.00	1.09	0.75	0.86
13	E"	1213	1171	0.00	1.09	0.75	0.86
14	E"	730	704	0.00	0.46	0.75	0.86
14	E"	730	704	0.00	0.46	0.75	0.86

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	1.455	0.910
H5	1.260	-0.728	0.910
H6	-1.260	-0.728	0.910
H7	0.000	1.455	-0.910
H8	1.260	-0.728	-0.910
H9	-1.260	-0.728	-0.910

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5047	1.5047	1.0823	2.2280	2.2280	1.0823	2.2280	2.2280
C2	1.5047		1.5047	2.2280	1.0823	2.2280	2.2280	1.0823	2.2280
C3	1.5047	1.5047		2.2280	2.2280	1.0823	2.2280	2.2280	1.0823
H4	1.0823	2.2280	2.2280		2.5205	2.5205	1.8192	3.1084	3.1084
H5	2.2280	1.0823	2.2280	2.5205		2.5205	3.1084	1.8192	3.1084
H6	2.2280	2.2280	1.0823	2.5205	2.5205		3.1084	3.1084	1.8192
H7	1.0823	2.2280	2.2280	1.8192	3.1084	3.1084		2.5205	2.5205
H8	2.2280	1.0823	2.2280	3.1084	1.8192	3.1084	2.5205		2.5205
H9	2.2280	2.2280	1.0823	3.1084	3.1084	1.8192	2.5205	2.5205

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.987
C1	C2	H8	117.987	C1	C3	C2	60.000
C1	C3	H6	117.987	C1	C3	H9	117.987
C2	C1	C3	60.000	C2	C1	H4	117.987
C2	C1	H7	117.987	C2	C3	H6	117.987
C2	C3	H9	117.987	C3	C1	H4	117.987
C3	C1	H7	117.987	C3	C2	H5	117.987
C3	C2	H8	117.987	H4	C1	H7	114.378
H5	C2	H8	114.378	H6	C3	H9	114.378

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: TPSSh/aug-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	-0.265
2	C	-0.265
3	C	-0.265
4	H	0.132
5	H	0.132
6	H	0.132
7	H	0.132
8	H	0.132
9	H	0.132

<r²>	43.726
(<r²>)^1/2	6.613

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: TPSSh/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)