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	hartrees
Energy at 0K	-117.209744
Energy at 298.15K
HF Energy	-117.209744
Nuclear repulsion energy	75.315335

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'	3204	3204	0.00	198.39	0.05	0.09
2	A₁'	1555	1555	0.00	7.53	0.74	0.85
3	A₁'	1177	1177	0.00	25.96	0.08	0.14
4	A₁"	1174	1174	0.00	0.00	0.75	0.86
5	A₂'	1154	1154	0.00	0.00	0.75	0.86
6	A₂"	3300	3300	16.58	0.00	0.75	0.86
7	A₂"	876	876	1.71	0.00	0.75	0.86
8	E'	3193	3193	14.47	14.92	0.75	0.86
8	E'	3193	3193	14.48	14.92	0.75	0.86
9	E'	1523	1523	5.94	8.68	0.75	0.86
9	E'	1523	1523	5.94	8.67	0.75	0.86
10	E'	1103	1103	27.80	0.01	0.75	0.86
10	E'	1103	1103	27.81	0.01	0.75	0.86
11	E'	865	865	17.79	17.65	0.75	0.86
11	E'	865	865	17.80	17.64	0.75	0.86
12	E"	3277	3277	0.00	82.11	0.75	0.86
12	E"	3277	3277	0.00	82.12	0.75	0.86
13	E"	1238	1238	0.00	12.78	0.75	0.86
13	E"	1238	1238	0.00	12.77	0.75	0.86
14	E"	783	783	0.00	3.76	0.75	0.86
14	E"	783	783	0.00	3.74	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.878	0.000
C2	0.761	-0.439	0.000
C3	-0.761	-0.439	0.000
H4	0.000	1.459	0.914
H5	1.263	-0.729	0.914
H6	-1.263	-0.729	0.914
H7	0.000	1.459	-0.914
H8	1.263	-0.729	-0.914
H9	-1.263	-0.729	-0.914

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5214	1.5214	1.0827	2.2398	2.2398	1.0827	2.2398	2.2398
C2	1.5214		1.5214	2.2398	1.0827	2.2398	2.2398	1.0827	2.2398
C3	1.5214	1.5214		2.2398	2.2398	1.0827	2.2398	2.2398	1.0827
H4	1.0827	2.2398	2.2398		2.5269	2.5269	1.8277	3.1186	3.1186
H5	2.2398	1.0827	2.2398	2.5269		2.5269	3.1186	1.8277	3.1186
H6	2.2398	2.2398	1.0827	2.5269	2.5269		3.1186	3.1186	1.8277
H7	1.0827	2.2398	2.2398	1.8277	3.1186	3.1186		2.5269	2.5269
H8	2.2398	1.0827	2.2398	3.1186	1.8277	3.1186	2.5269		2.5269
H9	2.2398	2.2398	1.0827	3.1186	3.1186	1.8277	2.5269	2.5269

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.669
C1	C2	H8	117.669	C1	C3	C2	60.000
C1	C3	H6	117.669	C1	C3	H9	117.669
C2	C1	C3	60.000	C2	C1	H4	117.669
C2	C1	H7	117.669	C2	C3	H6	117.669
C2	C3	H9	117.669	C3	C1	H4	117.669
C3	C1	H7	117.669	C3	C2	H5	117.669
C3	C2	H8	117.669	H4	C1	H7	115.150
H5	C2	H8	115.150	H6	C3	H9	115.150

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: wB97X-D/3-21G

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	-0.451
2	C	-0.451
3	C	-0.451
4	H	0.226
5	H	0.226
6	H	0.226
7	H	0.226
8	H	0.226
9	H	0.226

<r²>	43.933
(<r²>)^1/2	6.628

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: wB97X-D/3-21G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)