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	hartrees
Energy at 0K	-117.887571
Energy at 298.15K
HF Energy	-117.887571
Nuclear repulsion energy	75.838879

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'	3153	3016	0.00	263.51	0.04	0.07
2	A₁'	1532	1466	0.00	2.53	0.68	0.81
3	A₁'	1222	1169	0.00	32.31	0.08	0.14
4	A₁"	1157	1107	0.00	0.00	0.75	0.86
5	A₂'	1094	1047	0.00	0.00	0.75	0.86
6	A₂"	3245	3104	35.01	0.00	0.75	0.86
7	A₂"	866	828	0.56	0.00	0.75	0.86
8	E'	3142	3006	25.65	21.59	0.75	0.86
8	E'	3142	3006	25.66	21.59	0.75	0.86
9	E'	1475	1411	2.50	6.63	0.75	0.86
9	E'	1475	1411	2.50	6.62	0.75	0.86
10	E'	1064	1017	10.86	0.57	0.75	0.86
10	E'	1064	1017	10.87	0.57	0.75	0.86
11	E'	900	861	23.15	13.10	0.75	0.86
11	E'	900	861	23.12	13.11	0.75	0.86
12	E"	3225	3084	0.00	98.52	0.75	0.86
12	E"	3225	3084	0.00	98.53	0.75	0.86
13	E"	1215	1163	0.00	5.29	0.75	0.86
13	E"	1215	1163	0.00	5.29	0.75	0.86
14	E"	753	720	0.00	1.43	0.75	0.86
14	E"	753	720	0.00	1.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.868	0.000
C2	0.752	-0.434	0.000
C3	-0.752	-0.434	0.000
H4	0.000	1.455	0.911
H5	1.260	-0.727	0.911
H6	-1.260	-0.727	0.911
H7	0.000	1.455	-0.911
H8	1.260	-0.727	-0.911
H9	-1.260	-0.727	-0.911

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5040	1.5040	1.0833	2.2279	2.2279	1.0833	2.2279	2.2279
C2	1.5040		1.5040	2.2279	1.0833	2.2279	2.2279	1.0833	2.2279
C3	1.5040	1.5040		2.2279	2.2279	1.0833	2.2279	2.2279	1.0833
H4	1.0833	2.2279	2.2279		2.5201	2.5201	1.8214	3.1094	3.1094
H5	2.2279	1.0833	2.2279	2.5201		2.5201	3.1094	1.8214	3.1094
H6	2.2279	2.2279	1.0833	2.5201	2.5201		3.1094	3.1094	1.8214
H7	1.0833	2.2279	2.2279	1.8214	3.1094	3.1094		2.5201	2.5201
H8	2.2279	1.0833	2.2279	3.1094	1.8214	3.1094	2.5201		2.5201
H9	2.2279	2.2279	1.0833	3.1094	3.1094	1.8214	2.5201	2.5201

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.967
C1	C2	H8	117.967	C1	C3	C2	60.000
C1	C3	H6	117.967	C1	C3	H9	117.967
C2	C1	C3	60.000	C2	C1	H4	117.967
C2	C1	H7	117.967	C2	C3	H6	117.967
C2	C3	H9	117.967	C3	C1	H4	117.967
C3	C1	H7	117.967	C3	C2	H5	117.967
C3	C2	H8	117.967	H4	C1	H7	114.426
H5	C2	H8	114.426	H6	C3	H9	114.426

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: wB97X-D/6-311G**

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	-0.267
2	C	-0.267
3	C	-0.267
4	H	0.134
5	H	0.134
6	H	0.134
7	H	0.134
8	H	0.134
9	H	0.134

<r²>	43.626
(<r²>)^1/2	6.605

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)