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	hartrees
Energy at 0K	-231.370372
Energy at 298.15K	-231.374522
HF Energy	-230.572313
Nuclear repulsion energy	188.804919

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3226	3034	0.00
2	A₁'	1898	1785	0.00
3	A₁'	1510	1420	0.00
4	A₁'	800	752	0.00
5	A₁"	745	701	0.00
6	A₂'	3329	3131	0.00
7	A₂'	1112	1046	0.00
8	A₂'	506	476	0.00
9	A₂"	858	807	152.25
10	A₂"	164	155	8.56
11	E'	3329	3131	6.02
11	E'	3329	3131	6.02
12	E'	3225	3033	7.37
12	E'	3225	3033	7.37
13	E'	1686	1586	4.11
13	E'	1686	1586	4.11
14	E'	1474	1386	7.94
14	E'	1474	1386	7.94
15	E'	1144	1076	2.42
15	E'	1144	1076	2.42
16	E'	813	765	5.63
16	E'	813	765	5.63
17	E'	222	209	0.02
17	E'	222	209	0.02
18	E"	853	802	0.00
18	E"	853	802	0.00
19	E"	740	696	0.00
19	E"	740	696	0.00
20	E"	248	233	0.00
20	E"	248	233	0.00

Atom	x (Å)	y (Å)
C1	0.000	0.834
C2	0.723	-0.417
C3	-0.723	-0.417
C4	0.000	2.176
C5	1.885	-1.088
C6	-1.885	-1.088
H7	-0.928	2.732
H8	0.928	2.732
H9	2.830	-0.562
H10	1.902	-2.170
H11	-1.902	-2.170
H12	-2.830	-0.562

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.4453	1.4453	1.3420	2.6924	2.6924	2.1126	2.1126	3.1560	3.5558	3.5558	3.1560
C2	1.4453		1.4453	2.6924	1.3420	2.6924	3.5558	3.1560	2.1126	2.1126	3.1560	3.5558
C3	1.4453	1.4453		2.6924	2.6924	1.3420	3.1560	3.5558	3.5558	3.1560	2.1126	2.1126
C4	1.3420	2.6924	2.6924		3.7697	3.7697	1.0819	1.0819	3.9382	4.7443	4.7443	3.9382
C5	2.6924	1.3420	2.6924	3.7697		3.7697	4.7443	3.9382	1.0819	1.0819	3.9382	4.7443
C6	2.6924	2.6924	1.3420	3.7697	3.7697		3.9382	4.7443	4.7443	3.9382	1.0819	1.0819
H7	2.1126	3.5558	3.1560	1.0819	4.7443	3.9382		1.8566	4.9978	5.6604	4.9978	3.8038
H8	2.1126	3.1560	3.5558	1.0819	3.9382	4.7443	1.8566		3.8038	4.9978	5.6604	4.9978
H9	3.1560	2.1126	3.5558	3.9382	1.0819	4.7443	4.9978	3.8038		1.8566	4.9978	5.6604
H10	3.5558	2.1126	3.1560	4.7443	1.0819	3.9382	5.6604	4.9978	1.8566		3.8038	4.9978
H11	3.5558	3.1560	2.1126	4.7443	3.9382	1.0819	4.9978	5.6604	4.9978	3.8038		1.8566
H12	3.1560	3.5558	2.1126	3.9382	4.7443	1.0819	3.8038	4.9978	5.6604	4.9978	1.8566

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	120.904	C1	C4	H8	120.904
C2	C1	C3	60.000	C2	C1	C4	150.000
C2	C3	C6	150.000	C2	C5	H9	120.904
C2	C5	H10	120.904	C3	C1	C4	150.000
C3	C2	C5	150.000	C3	C6	H11	120.904
C3	C6	H12	120.904	H7	C4	H8	118.193
H9	C5	H10	118.193	H11	C6	H12	118.193

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)