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	hartrees
Energy at 0K	-230.986803
Energy at 298.15K	-230.991085
HF Energy	-230.475433
Nuclear repulsion energy	185.112945

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3134	3025	0.00
2	A₁'	1860	1795	0.00
3	A₁'	1505	1453	0.00
4	A₁'	745	719	0.00
5	A₁"	745	719	0.00
6	A₂'	3245	3132	0.00
7	A₂'	1111	1073	0.00
8	A₂'	507	490	0.00
9	A₂"	816	788	221.01
10	A₂"	204	197	7.95
11	E'	3248	3135	18.95
11	E'	3248	3135	18.95
12	E'	3131	3022	16.58
12	E'	3131	3022	16.58
13	E'	1643	1586	2.27
13	E'	1643	1586	2.27
14	E'	1470	1419	12.85
14	E'	1470	1419	12.85
15	E'	1136	1097	7.76
15	E'	1136	1097	7.76
16	E'	766	740	5.74
16	E'	766	740	5.74
17	E'	222	215	0.27
17	E'	222	215	0.27
18	E"	814	785	0.00
18	E"	814	785	0.00
19	E"	742	716	0.00
19	E"	742	716	0.00
20	E"	321	310	0.00
20	E"	321	310	0.00

Atom	x (Å)	y (Å)
C1	0.000	0.859
C2	0.744	-0.429
C3	-0.744	-0.429
C4	0.000	2.220
C5	1.923	-1.110
C6	-1.923	-1.110
H7	-0.937	2.785
H8	0.937	2.785
H9	2.881	-0.582
H10	1.944	-2.204
H11	-1.944	-2.204
H12	-2.881	-0.582

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.4871	1.4871	1.3617	2.7519	2.7519	2.1424	2.1424	3.2205	3.6273	3.6273	3.2205
C2	1.4871		1.4871	2.7519	1.3617	2.7519	3.6273	3.2205	2.1424	2.1424	3.2205	3.6273
C3	1.4871	1.4871		2.7519	2.7519	1.3617	3.2205	3.6273	3.6273	3.2205	2.1424	2.1424
C4	1.3617	2.7519	2.7519		3.8456	3.8456	1.0939	1.0939	4.0184	4.8323	4.8323	4.0184
C5	2.7519	1.3617	2.7519	3.8456		3.8456	4.8323	4.0184	1.0939	1.0939	4.0184	4.8323
C6	2.7519	2.7519	1.3617	3.8456	3.8456		4.0184	4.8323	4.8323	4.0184	1.0939	1.0939
H7	2.1424	3.6273	3.2205	1.0939	4.8323	4.0184		1.8732	5.0899	5.7610	5.0899	3.8878
H8	2.1424	3.2205	3.6273	1.0939	4.0184	4.8323	1.8732		3.8878	5.0899	5.7610	5.0899
H9	3.2205	2.1424	3.6273	4.0184	1.0939	4.8323	5.0899	3.8878		1.8732	5.0899	5.7610
H10	3.6273	2.1424	3.2205	4.8323	1.0939	4.0184	5.7610	5.0899	1.8732		3.8878	5.0899
H11	3.6273	3.2205	2.1424	4.8323	4.0184	1.0939	5.0899	5.7610	5.0899	3.8878		1.8732
H12	3.2205	3.6273	2.1424	4.0184	4.8323	1.0939	3.8878	5.0899	5.7610	5.0899	1.8732

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	121.106	C1	C4	H8	121.106
C2	C1	C3	60.000	C2	C1	C4	150.000
C2	C3	C6	150.000	C2	C5	H9	121.106
C2	C5	H10	121.106	C3	C1	C4	150.000
C3	C2	C5	150.000	C3	C6	H11	121.106
C3	C6	H12	121.106	H7	C4	H8	117.788
H9	C5	H10	117.788	H11	C6	H12	117.788

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)

using model chemistry: MP2/SDD

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/SDD

States and conformations

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)