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	hartrees
Energy at 0K	-36.616357
Energy at 298.15K	-36.620049
HF Energy	-36.142349
Nuclear repulsion energy	92.357115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3139	3034	0.00
2	A₁'	1854	1792	0.00
3	A₁'	1491	1441	0.00
4	A₁'	742	717	0.00
5	A₁"	725	700	0.00
6	A₂'	3238	3129	0.00
7	A₂'	1048	1013	0.00
8	A₂'	449	434	0.00
9	A₂"	772	746	242.29
10	A₂"	175	169	6.38
11	E'	3241	3131	31.20
11	E'	3241	3131	31.20
12	E'	3136	3030	28.88
12	E'	3136	3030	28.88
13	E'	1636	1581	2.96
13	E'	1636	1581	2.96
14	E'	1451	1402	7.93
14	E'	1451	1402	7.93
15	E'	1107	1070	6.08
15	E'	1107	1070	6.08
16	E'	748	722	5.92
16	E'	748	722	5.92
17	E'	209	202	0.23
17	E'	209	202	0.23
18	E"	780	753	0.00
18	E"	780	753	0.00
19	E"	679	656	0.00
19	E"	679	656	0.00
20	E"	195	189	0.00
20	E"	195	189	0.00

Atom	x (Å)	y (Å)
C1	0.000	0.870
C2	0.754	-0.435
C3	-0.754	-0.435
C4	0.000	2.259
C5	1.956	-1.130
C6	-1.956	-1.130
H7	-0.945	2.823
H8	0.945	2.823
H9	2.918	-0.593
H10	1.972	-2.230
H11	-1.972	-2.230
H12	-2.918	-0.593

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.5075	1.5075	1.3888	2.7978	2.7978	2.1697	2.1697	3.2641	3.6748	3.6748	3.2641
C2	1.5075		1.5075	2.7978	1.3888	2.7978	3.6748	3.2641	2.1697	2.1697	3.2641	3.6748
C3	1.5075	1.5075		2.7978	2.7978	1.3888	3.2641	3.6748	3.6748	3.2641	2.1697	2.1697
C4	1.3888	2.7978	2.7978		3.9130	3.9130	1.1009	1.1009	4.0801	4.9037	4.9037	4.0801
C5	2.7978	1.3888	2.7978	3.9130		3.9130	4.9037	4.0801	1.1009	1.1009	4.0801	4.9037
C6	2.7978	2.7978	1.3888	3.9130	3.9130		4.0801	4.9037	4.9037	4.0801	1.1009	1.1009
H7	2.1697	3.6748	3.2641	1.1009	4.9037	4.0801		1.8908	5.1569	5.8354	5.1569	3.9447
H8	2.1697	3.2641	3.6748	1.1009	4.0801	4.9037	1.8908		3.9447	5.1569	5.8354	5.1569
H9	3.2641	2.1697	3.6748	4.0801	1.1009	4.9037	5.1569	3.9447		1.8908	5.1569	5.8354
H10	3.6748	2.1697	3.2641	4.9037	1.1009	4.0801	5.8354	5.1569	1.8908		3.9447	5.1569
H11	3.6748	3.2641	2.1697	4.9037	4.0801	1.1009	5.1569	5.8354	5.1569	3.9447		1.8908
H12	3.2641	3.6748	2.1697	4.0801	4.9037	1.1009	3.9447	5.1569	5.8354	5.1569	1.8908

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	120.825	C1	C4	H8	120.825
C2	C1	C3	60.000	C2	C1	C4	150.000
C2	C3	C6	150.000	C2	C5	H9	120.825
C2	C5	H10	120.825	C3	C1	C4	150.000
C3	C2	C5	150.000	C3	C6	H11	120.825
C3	C6	H12	120.825	H7	C4	H8	118.350
H9	C5	H10	118.350	H11	C6	H12	118.350

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)

using model chemistry: MP2/CEP-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/CEP-31G

States and conformations

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)