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	hartrees
Energy at 0K	-230.996089
Energy at 298.15K	-231.000150
HF Energy	-230.461099
Nuclear repulsion energy	186.729695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3161	3003	0.00
2	A₁'	1880	1786	0.00
3	A₁'	1526	1450	0.00
4	A₁'	767	728	0.00
5	A₁"	760	722	0.00
6	A₂'	3252	3089	0.00
7	A₂'	1131	1074	0.00
8	A₂'	525	499	0.00
9	A₂"	886	842	144.84
10	A₂"	172	163	5.26
11	E'	3252	3090	17.02
11	E'	3252	3090	17.02
12	E'	3159	3001	13.50
12	E'	3159	3001	13.50
13	E'	1673	1590	5.53
13	E'	1673	1590	5.53
14	E'	1491	1416	6.00
14	E'	1491	1416	6.00
15	E'	1158	1101	5.36
15	E'	1158	1101	5.36
16	E'	777	738	5.34
16	E'	777	738	5.34
17	E'	228	217	0.09
17	E'	228	217	0.09
18	E"	877	834	0.00
18	E"	877	834	0.00
19	E"	736	699	0.00
19	E"	736	699	0.00
20	E"	205	195	0.00
20	E"	205	195	0.00

Atom	x (Å)	y (Å)
C1	0.000	0.850
C2	0.737	-0.425
C3	-0.737	-0.425
C4	0.000	2.198
C5	1.904	-1.099
C6	-1.904	-1.099
H7	-0.929	2.768
H8	0.929	2.768
H9	2.862	-0.579
H10	1.933	-2.189
H11	-1.933	-2.189
H12	-2.862	-0.579

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.4731	1.4731	1.3479	2.7251	2.7251	2.1311	2.1311	3.1994	3.6019	3.6019	3.1994
C2	1.4731		1.4731	2.7251	1.3479	2.7251	3.6019	3.1994	2.1311	2.1311	3.1994	3.6019
C3	1.4731	1.4731		2.7251	2.7251	1.3479	3.1994	3.6019	3.6019	3.1994	2.1311	2.1311
C4	1.3479	2.7251	2.7251		3.8077	3.8077	1.0900	1.0900	3.9885	4.7942	4.7942	3.9885
C5	2.7251	1.3479	2.7251	3.8077		3.8077	4.7942	3.9885	1.0900	1.0900	3.9885	4.7942
C6	2.7251	2.7251	1.3479	3.8077	3.8077		3.9885	4.7942	4.7942	3.9885	1.0900	1.0900
H7	2.1311	3.6019	3.1994	1.0900	4.7942	3.9885		1.8583	5.0578	5.7241	5.0578	3.8658
H8	2.1311	3.1994	3.6019	1.0900	3.9885	4.7942	1.8583		3.8658	5.0578	5.7241	5.0578
H9	3.1994	2.1311	3.6019	3.9885	1.0900	4.7942	5.0578	3.8658		1.8583	5.0578	5.7241
H10	3.6019	2.1311	3.1994	4.7942	1.0900	3.9885	5.7241	5.0578	1.8583		3.8658	5.0578
H11	3.6019	3.1994	2.1311	4.7942	3.9885	1.0900	5.0578	5.7241	5.0578	3.8658		1.8583
H12	3.1994	3.6019	2.1311	3.9885	4.7942	1.0900	3.8658	5.0578	5.7241	5.0578	1.8583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	C5	150.000
C1	C3	C2	60.000	C1	C3	C6	150.000
C1	C4	H7	121.525	C1	C4	H8	121.525
C2	C1	C3	60.000	C2	C1	C4	150.000
C2	C3	C6	150.000	C2	C5	H9	121.525
C2	C5	H10	121.525	C3	C1	C4	150.000
C3	C2	C5	150.000	C3	C6	H11	121.525
C3	C6	H12	121.525	H7	C4	H8	116.950
H9	C5	H10	116.950	H11	C6	H12	116.950

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)

using model chemistry: MP2=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 C6H6 (Trimethylenecycopropane)

using model chemistry: MP2=FULL/6-31G

States and conformations

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)