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	hartrees
Energy at 0K	-117.753557
Energy at 298.15K
HF Energy	-117.611899
Nuclear repulsion energy	75.422994

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'	3167	3035	0.00	275.71	0.04	0.08
2	A₁'	1517	1454	0.00	3.70	0.69	0.82
3	A₁'	1229	1178	0.00	32.35	0.09	0.17
4	A₁"	1152	1105	0.00	0.00	0.75	0.86
5	A₂'	1078	1033	0.00	0.00	0.75	0.86
6	A₂"	3265	3130	27.25	0.00	0.75	0.86
7	A₂"	859	823	0.52	0.00	0.75	0.86
8	E'	3157	3026	20.92	22.00	0.75	0.86
8	E'	3157	3026	20.91	22.00	0.75	0.86
9	E'	1457	1397	0.67	8.16	0.75	0.86
9	E'	1457	1397	0.67	8.16	0.75	0.86
10	E'	1056	1012	6.47	0.28	0.75	0.86
10	E'	1056	1012	6.47	0.28	0.75	0.86
11	E'	899	862	17.87	14.10	0.75	0.86
11	E'	899	862	17.87	14.10	0.75	0.86
12	E"	3245	3111	0.00	105.30	0.75	0.86
12	E"	3245	3111	0.00	105.30	0.75	0.86
13	E"	1208	1158	0.00	8.45	0.75	0.86
13	E"	1208	1158	0.00	8.45	0.75	0.86
14	E"	735	705	0.00	2.12	0.75	0.86
14	E"	735	705	0.00	2.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.872	0.000
C2	0.755	-0.436	0.000
C3	-0.755	-0.436	0.000
H4	0.000	1.463	0.918
H5	1.267	-0.731	0.918
H6	-1.267	-0.731	0.918
H7	0.000	1.463	-0.918
H8	1.267	-0.731	-0.918
H9	-1.267	-0.731	-0.918

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5109	1.5109	1.0913	2.2403	2.2403	1.0913	2.2403	2.2403
C2	1.5109		1.5109	2.2403	1.0913	2.2403	2.2403	1.0913	2.2403
C3	1.5109	1.5109		2.2403	2.2403	1.0913	2.2403	2.2403	1.0913
H4	1.0913	2.2403	2.2403		2.5336	2.5336	1.8355	3.1286	3.1286
H5	2.2403	1.0913	2.2403	2.5336		2.5336	3.1286	1.8355	3.1286
H6	2.2403	2.2403	1.0913	2.5336	2.5336		3.1286	3.1286	1.8355
H7	1.0913	2.2403	2.2403	1.8355	3.1286	3.1286		2.5336	2.5336
H8	2.2403	1.0913	2.2403	3.1286	1.8355	3.1286	2.5336		2.5336
H9	2.2403	2.2403	1.0913	3.1286	3.1286	1.8355	2.5336	2.5336

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.942
C1	C2	H8	117.942	C1	C3	C2	60.000
C1	C3	H6	117.942	C1	C3	H9	117.942
C2	C1	C3	60.000	C2	C1	H4	117.942
C2	C1	H7	117.942	C2	C3	H6	117.942
C2	C3	H9	117.942	C3	C1	H4	117.942
C3	C1	H7	117.942	C3	C2	H5	117.942
C3	C2	H8	117.942	H4	C1	H7	114.488
H5	C2	H8	114.488	H6	C3	H9	114.488

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: B2PLYP=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)