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	hartrees
Energy at 0K	-117.543687
Energy at 298.15K
HF Energy	-117.096957
Nuclear repulsion energy	75.958190

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'	3203	3036	0.00	273.53	0.03	0.06
2	A₁'	1548	1468	0.00	1.90	0.52	0.68
3	A₁'	1237	1172	0.00	36.11	0.06	0.11
4	A₁"	1194	1132	0.00	0.00	0.18	0.30
5	A₂'	1115	1057	0.00	0.00	0.63	0.77
6	A₂"	3307	3134	22.45	0.00	0.75	0.85
7	A₂"	881	835	0.07	0.00	0.69	0.82
8	E'	3195	3029	16.51	21.41	0.75	0.86
8	E'	3195	3029	16.51	21.41	0.75	0.86
9	E'	1498	1420	0.76	5.86	0.75	0.86
9	E'	1498	1420	0.76	5.86	0.75	0.86
10	E'	1100	1042	12.19	0.29	0.75	0.86
10	E'	1100	1042	12.19	0.29	0.75	0.86
11	E'	906	859	20.83	11.35	0.75	0.86
11	E'	906	859	20.83	11.35	0.75	0.86
12	E"	3288	3116	0.00	82.66	0.75	0.86
12	E"	3288	3116	0.00	82.66	0.75	0.86
13	E"	1239	1175	0.00	3.25	0.75	0.86
13	E"	1239	1175	0.00	3.25	0.75	0.86
14	E"	770	730	0.00	0.51	0.75	0.86
14	E"	770	730	0.00	0.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.868	0.000
C2	0.752	-0.434	0.000
C3	-0.752	-0.434	0.000
H4	0.000	1.448	0.911
H5	1.254	-0.724	0.911
H6	-1.254	-0.724	0.911
H7	0.000	1.448	-0.911
H8	1.254	-0.724	-0.911
H9	-1.254	-0.724	-0.911

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5034	1.5034	1.0802	2.2222	2.2222	1.0802	2.2222	2.2222
C2	1.5034		1.5034	2.2222	1.0802	2.2222	2.2222	1.0802	2.2222
C3	1.5034	1.5034		2.2222	2.2222	1.0802	2.2222	2.2222	1.0802
H4	1.0802	2.2222	2.2222		2.5085	2.5085	1.8221	3.1004	3.1004
H5	2.2222	1.0802	2.2222	2.5085		2.5085	3.1004	1.8221	3.1004
H6	2.2222	2.2222	1.0802	2.5085	2.5085		3.1004	3.1004	1.8221
H7	1.0802	2.2222	2.2222	1.8221	3.1004	3.1004		2.5085	2.5085
H8	2.2222	1.0802	2.2222	3.1004	1.8221	3.1004	2.5085		2.5085
H9	2.2222	2.2222	1.0802	3.1004	3.1004	1.8221	2.5085	2.5085

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.727
C1	C2	H8	117.727	C1	C3	C2	60.000
C1	C3	H6	117.727	C1	C3	H9	117.727
C2	C1	C3	60.000	C2	C1	H4	117.727
C2	C1	H7	117.727	C2	C3	H6	117.727
C2	C3	H9	117.727	C3	C1	H4	117.727
C3	C1	H7	117.727	C3	C2	H5	117.727
C3	C2	H8	117.727	H4	C1	H7	115.010
H5	C2	H8	115.010	H6	C3	H9	115.010

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: MP2/TZVP

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: MP2/TZVP

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)