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	hartrees
Energy at 0K	-117.659355
Energy at 298.15K
HF Energy	-117.568624
Nuclear repulsion energy	75.263988

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	3190	0.00	233.08	0.04	0.08
2	A₁'	1568	1568	0.00	7.32	0.70	0.83
3	A₁'	1228	1228	0.00	29.31	0.08	0.14
4	A₁"	1190	1190	0.00	0.00	0.73	0.85
5	A₂'	1166	1166	0.00	0.00	0.75	0.86
6	A₂"	3282	3282	42.58	0.00	0.75	0.86
7	A₂"	891	891	0.67	0.00	0.75	0.86
8	E'	3178	3178	23.01	18.48	0.75	0.86
8	E'	3178	3178	23.01	18.48	0.75	0.86
9	E'	1541	1541	1.69	9.75	0.75	0.86
9	E'	1541	1541	1.69	9.75	0.75	0.86
10	E'	1129	1129	15.26	0.04	0.75	0.86
10	E'	1129	1129	15.26	0.04	0.75	0.86
11	E'	889	889	20.34	17.49	0.75	0.86
11	E'	889	889	20.34	17.49	0.75	0.86
12	E"	3259	3259	0.00	91.10	0.75	0.86
12	E"	3259	3259	0.00	91.10	0.75	0.86
13	E"	1255	1255	0.00	12.46	0.75	0.86
13	E"	1255	1255	0.00	12.46	0.75	0.86
14	E"	786	786	0.00	3.52	0.75	0.86
14	E"	786	786	0.00	3.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.878	0.000
C2	0.760	-0.439	0.000
C3	-0.760	-0.439	0.000
H4	0.000	1.470	0.908
H5	1.273	-0.735	0.908
H6	-1.273	-0.735	0.908
H7	0.000	1.470	-0.908
H8	1.273	-0.735	-0.908
H9	-1.273	-0.735	-0.908

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5201	1.5201	1.0842	2.2465	2.2465	1.0842	2.2465	2.2465
C2	1.5201		1.5201	2.2465	1.0842	2.2465	2.2465	1.0842	2.2465
C3	1.5201	1.5201		2.2465	2.2465	1.0842	2.2465	2.2465	1.0842
H4	1.0842	2.2465	2.2465		2.5466	2.5466	1.8159	3.1277	3.1277
H5	2.2465	1.0842	2.2465	2.5466		2.5466	3.1277	1.8159	3.1277
H6	2.2465	2.2465	1.0842	2.5466	2.5466		3.1277	3.1277	1.8159
H7	1.0842	2.2465	2.2465	1.8159	3.1277	3.1277		2.5466	2.5466
H8	2.2465	1.0842	2.2465	3.1277	1.8159	3.1277	2.5466		2.5466
H9	2.2465	2.2465	1.0842	3.1277	3.1277	1.8159	2.5466	2.5466

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.252
C1	C2	H8	118.252	C1	C3	C2	60.000
C1	C3	H6	118.252	C1	C3	H9	118.252
C2	C1	C3	60.000	C2	C1	H4	118.252
C2	C1	H7	118.252	C2	C3	H6	118.252
C2	C3	H9	118.252	C3	C1	H4	118.252
C3	C1	H7	118.252	C3	C2	H5	118.252
C3	C2	H8	118.252	H4	C1	H7	113.734
H5	C2	H8	113.734	H6	C3	H9	113.734

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B2PLYP/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	-0.295
2	C	-0.295
3	C	-0.295
4	H	0.147
5	H	0.147
6	H	0.147
7	H	0.147
8	H	0.147
9	H	0.147

<r²>	44.232
(<r²>)^1/2	6.651

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: B2PLYP/6-31G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)