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	hartrees
Energy at 0K	-117.275590
Energy at 298.15K
HF Energy	-117.014772
Nuclear repulsion energy	74.072606

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'	3161	3045	0.00	248.61	0.03	0.07
2	A₁'	1540	1483	0.00	6.16	0.45	0.62
3	A₁'	1190	1146	0.00	38.08	0.06	0.11
4	A₁"	1187	1143	0.00	0.00	0.75	0.86
5	A₂'	1149	1107	0.00	0.00	0.00	0.00
6	A₂"	3274	3153	51.53	0.00	0.00	0.00
7	A₂"	889	856	2.93	0.00	0.00	0.00
8	E'	3147	3031	27.87	17.41	0.75	0.86
8	E'	3147	3031	27.87	17.41	0.75	0.86
9	E'	1511	1455	2.74	4.21	0.75	0.86
9	E'	1511	1455	2.74	4.21	0.75	0.86
10	E'	1133	1091	18.92	0.96	0.75	0.86
10	E'	1133	1091	18.92	0.96	0.75	0.86
11	E'	851	820	23.68	20.43	0.75	0.86
11	E'	851	820	23.68	20.43	0.75	0.86
12	E"	3251	3131	0.00	65.92	0.75	0.86
12	E"	3251	3131	0.00	65.92	0.75	0.86
13	E"	1238	1192	0.00	8.07	0.75	0.86
13	E"	1238	1192	0.00	8.07	0.75	0.86
14	E"	791	762	0.00	1.22	0.75	0.86
14	E"	791	762	0.00	1.22	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.896	0.000
C2	0.776	-0.448	0.000
C3	-0.776	-0.448	0.000
H4	0.000	1.487	0.920
H5	1.287	-0.743	0.920
H6	-1.287	-0.743	0.920
H7	0.000	1.487	-0.920
H8	1.287	-0.743	-0.920
H9	-1.287	-0.743	-0.920

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5518	1.5518	1.0934	2.2784	2.2784	1.0934	2.2784	2.2784
C2	1.5518		1.5518	2.2784	1.0934	2.2784	2.2784	1.0934	2.2784
C3	1.5518	1.5518		2.2784	2.2784	1.0934	2.2784	2.2784	1.0934
H4	1.0934	2.2784	2.2784		2.5748	2.5748	1.8404	3.1649	3.1649
H5	2.2784	1.0934	2.2784	2.5748		2.5748	3.1649	1.8404	3.1649
H6	2.2784	2.2784	1.0934	2.5748	2.5748		3.1649	3.1649	1.8404
H7	1.0934	2.2784	2.2784	1.8404	3.1649	3.1649		2.5748	2.5748
H8	2.2784	1.0934	2.2784	3.1649	1.8404	3.1649	2.5748		2.5748
H9	2.2784	2.2784	1.0934	3.1649	3.1649	1.8404	2.5748	2.5748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	117.889
C1	C2	H8	117.889	C1	C3	C2	60.000
C1	C3	H6	117.889	C1	C3	H9	117.889
C2	C1	C3	60.000	C2	C1	H4	117.889
C2	C1	H7	117.889	C2	C3	H6	117.889
C2	C3	H9	117.889	C3	C1	H4	117.889
C3	C1	H7	117.889	C3	C2	H5	117.889
C3	C2	H8	117.889	H4	C1	H7	114.615
H5	C2	H8	114.615	H6	C3	H9	114.615

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)