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	hartrees
Energy at 0K	-117.897035
Energy at 298.15K
HF Energy	-117.897035
Nuclear repulsion energy	75.948058

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'	3162	3019	0.00	287.72	0.03	0.06
2	A₁'	1534	1465	0.00	1.74	0.56	0.72
3	A₁'	1220	1165	0.00	36.42	0.07	0.12
4	A₁"	1160	1108	0.00	0.00	0.75	0.86
5	A₂'	1103	1053	0.00	0.00	0.75	0.86
6	A₂"	3254	3108	28.65	0.00	0.75	0.86
7	A₂"	871	832	0.46	0.00	0.75	0.86
8	E'	3153	3011	23.22	23.37	0.75	0.86
8	E'	3153	3011	23.19	23.36	0.75	0.86
9	E'	1482	1415	2.13	6.24	0.75	0.86
9	E'	1482	1415	2.13	6.25	0.75	0.86
10	E'	1067	1019	11.13	0.50	0.75	0.86
10	E'	1067	1019	11.13	0.49	0.75	0.86
11	E'	896	855	24.35	11.54	0.75	0.86
11	E'	896	855	24.39	11.53	0.75	0.86
12	E"	3234	3089	0.00	92.51	0.75	0.86
12	E"	3234	3089	0.00	92.49	0.75	0.86
13	E"	1220	1166	0.00	3.39	0.75	0.86
13	E"	1220	1166	0.00	3.39	0.75	0.86
14	E"	759	725	0.00	0.73	0.75	0.86
14	E"	759	725	0.00	0.74	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.867	0.000
C2	0.751	-0.433	0.000
C3	-0.751	-0.433	0.000
H4	0.000	1.453	0.910
H5	1.258	-0.726	0.910
H6	-1.258	-0.726	0.910
H7	0.000	1.453	-0.910
H8	1.258	-0.726	-0.910
H9	-1.258	-0.726	-0.910

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5016	1.5016	1.0821	2.2247	2.2247	1.0821	2.2247	2.2247
C2	1.5016		1.5016	2.2247	1.0821	2.2247	2.2247	1.0821	2.2247
C3	1.5016	1.5016		2.2247	2.2247	1.0821	2.2247	2.2247	1.0821
H4	1.0821	2.2247	2.2247		2.5162	2.5162	1.8197	3.1052	3.1052
H5	2.2247	1.0821	2.2247	2.5162		2.5162	3.1052	1.8197	3.1052
H6	2.2247	2.2247	1.0821	2.5162	2.5162		3.1052	3.1052	1.8197
H7	1.0821	2.2247	2.2247	1.8197	3.1052	3.1052		2.5162	2.5162
H8	2.2247	1.0821	2.2247	3.1052	1.8197	3.1052	2.5162		2.5162
H9	2.2247	2.2247	1.0821	3.1052	3.1052	1.8197	2.5162	2.5162

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.956
C1	C2	H8	117.956	C1	C3	C2	60.000
C1	C3	H6	117.956	C1	C3	H9	117.956
C2	C1	C3	60.000	C2	C1	H4	117.956
C2	C1	H7	117.956	C2	C3	H6	117.956
C2	C3	H9	117.956	C3	C1	H4	117.956
C3	C1	H7	117.956	C3	C2	H5	117.956
C3	C2	H8	117.956	H4	C1	H7	114.453
H5	C2	H8	114.453	H6	C3	H9	114.453

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: wB97X-D/TZVP

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	-0.280
2	C	-0.280
3	C	-0.280
4	H	0.140
5	H	0.140
6	H	0.140
7	H	0.140
8	H	0.140
9	H	0.140

<r²>	43.562
(<r²>)^1/2	6.600

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: wB97X-D/TZVP

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)