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	hartrees
Energy at 0K	-117.760770
Energy at 298.15K
HF Energy	-117.616512
Nuclear repulsion energy	75.822170

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'	3193	3193	0.00	232.39	0.04	0.08
2	A₁'	1562	1562	0.00	5.53	0.74	0.85
3	A₁'	1241	1241	0.00	28.30	0.09	0.17
4	A₁"	1181	1181	0.00	0.00	0.75	0.86
5	A₂'	1107	1107	0.00	0.00	0.75	0.86
6	A₂"	3286	3286	34.09	0.00	0.75	0.86
7	A₂"	874	874	0.32	0.00	0.75	0.86
8	E'	3184	3184	24.18	18.66	0.75	0.86
8	E'	3184	3184	24.18	18.66	0.75	0.86
9	E'	1511	1511	0.27	8.89	0.75	0.86
9	E'	1511	1511	0.27	8.89	0.75	0.86
10	E'	1089	1089	8.09	0.01	0.75	0.86
10	E'	1089	1089	8.09	0.01	0.75	0.86
11	E'	909	909	16.91	14.57	0.75	0.86
11	E'	909	909	16.91	14.57	0.75	0.86
12	E"	3267	3267	0.00	89.71	0.75	0.86
12	E"	3267	3267	0.00	89.71	0.75	0.86
13	E"	1238	1238	0.00	10.95	0.75	0.86
13	E"	1238	1238	0.00	10.95	0.75	0.86
14	E"	753	753	0.00	2.55	0.75	0.86
14	E"	753	753	0.00	2.55	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	1.457	0.909
H5	1.262	-0.728	0.909
H6	-1.262	-0.728	0.909
H7	0.000	1.457	-0.909
H8	1.262	-0.728	-0.909
H9	-1.262	-0.728	-0.909

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5050	1.5050	1.0823	2.2292	2.2292	1.0823	2.2292	2.2292
C2	1.5050		1.5050	2.2292	1.0823	2.2292	2.2292	1.0823	2.2292
C3	1.5050	1.5050		2.2292	2.2292	1.0823	2.2292	2.2292	1.0823
H4	1.0823	2.2292	2.2292		2.5235	2.5235	1.8171	3.1097	3.1097
H5	2.2292	1.0823	2.2292	2.5235		2.5235	3.1097	1.8171	3.1097
H6	2.2292	2.2292	1.0823	2.5235	2.5235		3.1097	3.1097	1.8171
H7	1.0823	2.2292	2.2292	1.8171	3.1097	3.1097		2.5235	2.5235
H8	2.2292	1.0823	2.2292	3.1097	1.8171	3.1097	2.5235		2.5235
H9	2.2292	2.2292	1.0823	3.1097	3.1097	1.8171	2.5235	2.5235

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.071
C1	C2	H8	118.071	C1	C3	C2	60.000
C1	C3	H6	118.071	C1	C3	H9	118.071
C2	C1	C3	60.000	C2	C1	H4	118.071
C2	C1	H7	118.071	C2	C3	H6	118.071
C2	C3	H9	118.071	C3	C1	H4	118.071
C3	C1	H7	118.071	C3	C2	H5	118.071
C3	C2	H8	118.071	H4	C1	H7	114.174
H5	C2	H8	114.174	H6	C3	H9	114.174

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for C3H6 (Cyclopropane)

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

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)