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	hartrees
Energy at 0K	-117.783905
Energy at 298.15K
HF Energy	-117.619523
Nuclear repulsion energy	75.861488

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'	3183	3183	0.00	227.25	0.04	0.08
2	A₁'	1535	1535	0.00	4.60	0.75	0.86
3	A₁'	1234	1234	0.00	29.50	0.09	0.16
4	A₁"	1174	1174	0.00	0.00	0.75	0.86
5	A₂'	1098	1098	0.00	0.00	0.75	0.86
6	A₂"	3277	3277	25.67	0.00	0.75	0.86
7	A₂"	864	864	0.34	0.00	0.75	0.86
8	E'	3174	3174	21.46	18.74	0.75	0.86
8	E'	3174	3174	21.46	18.74	0.75	0.86
9	E'	1489	1489	0.34	8.27	0.75	0.86
9	E'	1489	1489	0.34	8.27	0.75	0.86
10	E'	1071	1071	6.72	0.01	0.75	0.86
10	E'	1071	1071	6.72	0.01	0.75	0.86
11	E'	907	907	14.98	12.25	0.75	0.86
11	E'	907	907	14.98	12.25	0.75	0.86
12	E"	3256	3256	0.00	85.40	0.75	0.86
12	E"	3256	3256	0.00	85.40	0.75	0.86
13	E"	1226	1226	0.00	8.83	0.75	0.86
13	E"	1226	1226	0.00	8.83	0.75	0.86
14	E"	743	743	0.00	2.26	0.75	0.86
14	E"	743	743	0.00	2.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.869	0.000
C2	0.752	-0.434	0.000
C3	-0.752	-0.434	0.000
H4	0.000	1.455	0.909
H5	1.260	-0.728	0.909
H6	-1.260	-0.728	0.909
H7	0.000	1.455	-0.909
H8	1.260	-0.728	-0.909
H9	-1.260	-0.728	-0.909

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5045	1.5045	1.0815	2.2275	2.2275	1.0815	2.2275	2.2275
C2	1.5045		1.5045	2.2275	1.0815	2.2275	2.2275	1.0815	2.2275
C3	1.5045	1.5045		2.2275	2.2275	1.0815	2.2275	2.2275	1.0815
H4	1.0815	2.2275	2.2275		2.5205	2.5205	1.8171	3.1073	3.1073
H5	2.2275	1.0815	2.2275	2.5205		2.5205	3.1073	1.8171	3.1073
H6	2.2275	2.2275	1.0815	2.5205	2.5205		3.1073	3.1073	1.8171
H7	1.0815	2.2275	2.2275	1.8171	3.1073	3.1073		2.5205	2.5205
H8	2.2275	1.0815	2.2275	3.1073	1.8171	3.1073	2.5205		2.5205
H9	2.2275	2.2275	1.0815	3.1073	3.1073	1.8171	2.5205	2.5205

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.017
C1	C2	H8	118.017	C1	C3	C2	60.000
C1	C3	H6	118.017	C1	C3	H9	118.017
C2	C1	C3	60.000	C2	C1	H4	118.017
C2	C1	H7	118.017	C2	C3	H6	118.017
C2	C3	H9	118.017	C3	C1	H4	118.017
C3	C1	H7	118.017	C3	C2	H5	118.017
C3	C2	H8	118.017	H4	C1	H7	114.305
H5	C2	H8	114.305	H6	C3	H9	114.305

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

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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All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)