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	hartrees
Energy at 0K	-117.594873
Energy at 298.15K
HF Energy	-117.097010
Nuclear repulsion energy	76.013353

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	3052	0.00	272.62	0.03	0.06
2	A₁'	1549	1476	0.00	1.89	0.52	0.68
3	A₁'	1238	1180	0.00	35.92	0.06	0.11
4	A₁"	1195	1139	0.00	0.00	0.18	0.30
5	A₂'	1117	1064	0.00	0.00	0.63	0.77
6	A₂"	3307	3151	21.79	0.00	0.75	0.85
7	A₂"	882	841	0.08	0.00	0.69	0.82
8	E'	3195	3044	16.17	21.29	0.75	0.86
8	E'	3195	3044	16.17	21.29	0.75	0.86
9	E'	1499	1428	0.84	5.85	0.75	0.86
9	E'	1499	1428	0.84	5.85	0.75	0.86
10	E'	1101	1049	12.38	0.30	0.75	0.86
10	E'	1101	1049	12.38	0.30	0.75	0.86
11	E'	908	865	20.88	11.27	0.75	0.86
11	E'	908	865	20.88	11.27	0.75	0.86
12	E"	3288	3132	0.00	82.20	0.75	0.86
12	E"	3288	3132	0.00	82.20	0.75	0.86
13	E"	1240	1181	0.00	3.23	0.75	0.86
13	E"	1240	1181	0.00	3.23	0.75	0.86
14	E"	772	735	0.00	0.51	0.75	0.86
14	E"	772	735	0.00	0.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.867	0.000
C2	0.751	-0.434	0.000
C3	-0.751	-0.434	0.000
H4	0.000	1.447	0.910
H5	1.253	-0.724	0.910
H6	-1.253	-0.724	0.910
H7	0.000	1.447	-0.910
H8	1.253	-0.724	-0.910
H9	-1.253	-0.724	-0.910

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5023	1.5023	1.0794	2.2206	2.2206	1.0794	2.2206	2.2206
C2	1.5023		1.5023	2.2206	1.0794	2.2206	2.2206	1.0794	2.2206
C3	1.5023	1.5023		2.2206	2.2206	1.0794	2.2206	2.2206	1.0794
H4	1.0794	2.2206	2.2206		2.5067	2.5067	1.8208	3.0983	3.0983
H5	2.2206	1.0794	2.2206	2.5067		2.5067	3.0983	1.8208	3.0983
H6	2.2206	2.2206	1.0794	2.5067	2.5067		3.0983	3.0983	1.8208
H7	1.0794	2.2206	2.2206	1.8208	3.0983	3.0983		2.5067	2.5067
H8	2.2206	1.0794	2.2206	3.0983	1.8208	3.0983	2.5067		2.5067
H9	2.2206	2.2206	1.0794	3.0983	3.0983	1.8208	2.5067	2.5067

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.729
C1	C2	H8	117.729	C1	C3	C2	60.000
C1	C3	H6	117.729	C1	C3	H9	117.729
C2	C1	C3	60.000	C2	C1	H4	117.729
C2	C1	H7	117.729	C2	C3	H6	117.729
C2	C3	H9	117.729	C3	C1	H4	117.729
C3	C1	H7	117.729	C3	C2	H5	117.729
C3	C2	H8	117.729	H4	C1	H7	115.005
H5	C2	H8	115.005	H6	C3	H9	115.005

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: MP2=FULL/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=FULL/TZVP

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)