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	hartrees
Energy at 0K	-117.046712
Energy at 298.15K
HF Energy	-116.954895
Nuclear repulsion energy	75.209435

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'	3201	3047	0.00	195.42	0.05	0.09
2	A₁'	1565	1490	0.00	8.71	0.71	0.83
3	A₁'	1161	1105	0.00	24.66	0.07	0.13
4	A₁"	1191	1134	0.00	0.00	0.73	0.85
5	A₂'	1154	1099	0.00	0.00	0.75	0.86
6	A₂"	3295	3137	22.76	0.00	0.75	0.86
7	A₂"	877	835	0.83	0.00	0.75	0.86
8	E'	3192	3038	16.71	15.06	0.75	0.86
8	E'	3192	3038	16.71	15.06	0.75	0.86
9	E'	1543	1468	2.76	8.98	0.75	0.86
9	E'	1543	1468	2.76	8.98	0.75	0.86
10	E'	1113	1060	21.01	0.13	0.75	0.86
10	E'	1113	1060	21.01	0.13	0.75	0.86
11	E'	855	814	15.54	16.72	0.75	0.86
11	E'	855	814	15.54	16.72	0.75	0.86
12	E"	3272	3115	0.00	79.52	0.75	0.86
12	E"	3272	3115	0.00	79.52	0.75	0.86
13	E"	1247	1187	0.00	13.18	0.75	0.86
13	E"	1247	1187	0.00	13.18	0.75	0.86
14	E"	780	742	0.00	3.58	0.75	0.86
14	E"	780	742	0.00	3.58	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.881	0.000
C2	0.763	-0.440	0.000
C3	-0.763	-0.440	0.000
H4	0.000	1.462	0.912
H5	1.266	-0.731	0.912
H6	-1.266	-0.731	0.912
H7	0.000	1.462	-0.912
H8	1.266	-0.731	-0.912
H9	-1.266	-0.731	-0.912

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5255	1.5255	1.0813	2.2431	2.2431	1.0813	2.2431	2.2431
C2	1.5255		1.5255	2.2431	1.0813	2.2431	2.2431	1.0813	2.2431
C3	1.5255	1.5255		2.2431	2.2431	1.0813	2.2431	2.2431	1.0813
H4	1.0813	2.2431	2.2431		2.5319	2.5319	1.8239	3.1204	3.1204
H5	2.2431	1.0813	2.2431	2.5319		2.5319	3.1204	1.8239	3.1204
H6	2.2431	2.2431	1.0813	2.5319	2.5319		3.1204	3.1204	1.8239
H7	1.0813	2.2431	2.2431	1.8239	3.1204	3.1204		2.5319	2.5319
H8	2.2431	1.0813	2.2431	3.1204	1.8239	3.1204	2.5319		2.5319
H9	2.2431	2.2431	1.0813	3.1204	3.1204	1.8239	2.5319	2.5319

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.732
C1	C2	H8	117.732	C1	C3	C2	60.000
C1	C3	H6	117.732	C1	C3	H9	117.732
C2	C1	C3	60.000	C2	C1	H4	117.732
C2	C1	H7	117.732	C2	C3	H6	117.732
C2	C3	H9	117.732	C3	C1	H4	117.732
C3	C1	H7	117.732	C3	C2	H5	117.732
C3	C2	H8	117.732	H4	C1	H7	114.996
H5	C2	H8	114.996	H6	C3	H9	114.996

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B2PLYP=FULL/3-21G

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/3-21G

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)