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	hartrees
Energy at 0K	-117.739414
Energy at 298.15K
HF Energy	-117.607005
Nuclear repulsion energy	75.745596

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'	3190	3026	0.00	229.42	0.04	0.08
2	A₁'	1570	1489	0.00	5.58	0.74	0.85
3	A₁'	1244	1180	0.00	27.52	0.09	0.17
4	A₁"	1183	1123	0.00	0.00	0.75	0.86
5	A₂'	1109	1052	0.00	0.00	0.75	0.86
6	A₂"	3278	3110	35.98	0.00	0.75	0.86
7	A₂"	878	833	0.39	0.00	0.75	0.86
8	E'	3181	3018	24.88	19.06	0.75	0.86
8	E'	3181	3018	24.88	19.06	0.75	0.86
9	E'	1519	1441	0.39	8.94	0.75	0.86
9	E'	1519	1441	0.39	8.94	0.75	0.86
10	E'	1092	1036	8.86	0.01	0.75	0.86
10	E'	1092	1036	8.86	0.01	0.75	0.86
11	E'	910	863	17.55	14.65	0.75	0.86
11	E'	910	863	17.55	14.65	0.75	0.86
12	E"	3259	3092	0.00	90.98	0.75	0.86
12	E"	3259	3092	0.00	90.98	0.75	0.86
13	E"	1243	1179	0.00	11.38	0.75	0.86
13	E"	1243	1179	0.00	11.38	0.75	0.86
14	E"	756	717	0.00	2.74	0.75	0.86
14	E"	756	717	0.00	2.74	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.869	0.000
C2	0.753	-0.435	0.000
C3	-0.753	-0.435	0.000
H4	0.000	1.459	0.910
H5	1.264	-0.730	0.910
H6	-1.264	-0.730	0.910
H7	0.000	1.459	-0.910
H8	1.264	-0.730	-0.910
H9	-1.264	-0.730	-0.910

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5056	1.5056	1.0844	2.2319	2.2319	1.0844	2.2319	2.2319
C2	1.5056		1.5056	2.2319	1.0844	2.2319	2.2319	1.0844	2.2319
C3	1.5056	1.5056		2.2319	2.2319	1.0844	2.2319	2.2319	1.0844
H4	1.0844	2.2319	2.2319		2.5276	2.5276	1.8196	3.1144	3.1144
H5	2.2319	1.0844	2.2319	2.5276		2.5276	3.1144	1.8196	3.1144
H6	2.2319	2.2319	1.0844	2.5276	2.5276		3.1144	3.1144	1.8196
H7	1.0844	2.2319	2.2319	1.8196	3.1144	3.1144		2.5276	2.5276
H8	2.2319	1.0844	2.2319	3.1144	1.8196	3.1144	2.5276		2.5276
H9	2.2319	2.2319	1.0844	3.1144	3.1144	1.8196	2.5276	2.5276

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.114
C1	C2	H8	118.114	C1	C3	C2	60.000
C1	C3	H6	118.114	C1	C3	H9	118.114
C2	C1	C3	60.000	C2	C1	H4	118.114
C2	C1	H7	118.114	C2	C3	H6	118.114
C2	C3	H9	118.114	C3	C1	H4	118.114
C3	C1	H7	118.114	C3	C2	H5	118.114
C3	C2	H8	118.114	H4	C1	H7	114.069
H5	C2	H8	114.069	H6	C3	H9	114.069

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B2PLYP=FULLultrafine/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	-0.319
2	C	-0.319
3	C	-0.319
4	H	0.160
5	H	0.160
6	H	0.160
7	H	0.160
8	H	0.160
9	H	0.160

<r²>	43.656
(<r²>)^1/2	6.607

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: B2PLYP=FULLultrafine/6-31G*

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)