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	hartrees
Energy at 0K	-117.799924
Energy at 298.15K
HF Energy	-117.799924
Nuclear repulsion energy	75.592700

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'	3208	3208	0.00	238.52	0.04	0.08
2	A₁'	1563	1563	0.00	6.47	0.75	0.86
3	A₁'	1253	1253	0.00	31.66	0.08	0.16
4	A₁"	1173	1173	0.00	0.00	0.75	0.86
5	A₂'	1166	1166	0.00	0.00	0.75	0.86
6	A₂"	3299	3299	29.39	0.00	0.75	0.86
7	A₂"	883	883	1.10	0.00	0.75	0.86
8	E'	3198	3198	15.93	18.55	0.75	0.86
8	E'	3198	3198	15.96	18.57	0.75	0.86
9	E'	1522	1522	3.62	9.28	0.75	0.86
9	E'	1522	1522	3.64	9.25	0.75	0.86
10	E'	1117	1117	17.76	0.01	0.75	0.86
10	E'	1117	1117	17.76	0.01	0.75	0.86
11	E'	923	923	22.45	17.95	0.75	0.86
11	E'	923	923	22.46	17.96	0.75	0.86
12	E"	3279	3279	0.00	92.38	0.75	0.86
12	E"	3279	3279	0.00	92.37	0.75	0.86
13	E"	1244	1244	0.00	12.88	0.75	0.86
13	E"	1244	1244	0.00	12.89	0.75	0.86
14	E"	780	780	0.00	3.46	0.75	0.86
14	E"	780	780	0.00	3.49	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.873	0.000
C2	0.756	-0.436	0.000
C3	-0.756	-0.436	0.000
H4	0.000	1.463	0.908
H5	1.267	-0.732	0.908
H6	-1.267	-0.732	0.908
H7	0.000	1.463	-0.908
H8	1.267	-0.732	-0.908
H9	-1.267	-0.732	-0.908

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5113	1.5113	1.0828	2.2366	2.2366	1.0828	2.2366	2.2366
C2	1.5113		1.5113	2.2366	1.0828	2.2366	2.2366	1.0828	2.2366
C3	1.5113	1.5113		2.2366	2.2366	1.0828	2.2366	2.2366	1.0828
H4	1.0828	2.2366	2.2366		2.5342	2.5342	1.8150	3.1171	3.1171
H5	2.2366	1.0828	2.2366	2.5342		2.5342	3.1171	1.8150	3.1171
H6	2.2366	2.2366	1.0828	2.5342	2.5342		3.1171	3.1171	1.8150
H7	1.0828	2.2366	2.2366	1.8150	3.1171	3.1171		2.5342	2.5342
H8	2.2366	1.0828	2.2366	3.1171	1.8150	3.1171	2.5342		2.5342
H9	2.2366	2.2366	1.0828	3.1171	3.1171	1.8150	2.5342	2.5342

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.189
C1	C2	H8	118.189	C1	C3	C2	60.000
C1	C3	H6	118.189	C1	C3	H9	118.189
C2	C1	C3	60.000	C2	C1	H4	118.189
C2	C1	H7	118.189	C2	C3	H6	118.189
C2	C3	H9	118.189	C3	C1	H4	118.189
C3	C1	H7	118.189	C3	C2	H5	118.189
C3	C2	H8	118.189	H4	C1	H7	113.888
H5	C2	H8	113.889	H6	C3	H9	113.889

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: M06-2X/6-31G

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	-0.328
2	C	-0.328
3	C	-0.328
4	H	0.164
5	H	0.164
6	H	0.164
7	H	0.164
8	H	0.164
9	H	0.164

<r²>	43.824
(<r²>)^1/2	6.620

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: M06-2X/6-31G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)