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	hartrees
Energy at 0K	-230.935640
Energy at 298.15K	-230.940151
HF Energy	-230.465079
Nuclear repulsion energy	188.286280

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3230	3021	0.00
2	A₁'	1991	1862	0.00
3	A₁'	1562	1461	0.00
4	A₁'	805	753	0.00
5	A₁"	786	735	0.00
6	A₂'	3313	3099	0.00
7	A₂'	1169	1094	0.00
8	A₂'	543	507	0.00
9	A₂"	974	911	154.61
10	A₂"	193	181	6.63
11	E'	3314	3099	17.72
11	E'	3314	3099	17.72
12	E'	3227	3018	14.73
12	E'	3227	3018	14.73
13	E'	1781	1666	5.16
13	E'	1781	1666	5.16
14	E'	1529	1430	9.58
14	E'	1529	1430	9.58
15	E'	1197	1120	10.24
15	E'	1197	1120	10.24
16	E'	811	758	10.37
16	E'	811	758	10.37
17	E'	236	221	0.03
17	E'	236	221	0.03
18	E"	966	903	0.00
18	E"	966	903	0.00
19	E"	787	736	0.00
19	E"	787	736	0.00
20	E"	285	267	0.00
20	E"	285	267	0.00

Atom	x (Å)	y (Å)
C1	0.000	0.846
C2	0.733	-0.423
C3	-0.733	-0.423
C4	0.000	2.178
C5	1.886	-1.089
C6	-1.886	-1.089
H7	-0.923	2.746
H8	0.923	2.746
H9	2.840	-0.573
H10	1.916	-2.173
H11	-1.916	-2.173
H12	-2.840	-0.573

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.4654	1.4654	1.3320	2.7023	2.7023	2.1124	2.1124	3.1747	3.5756	3.5756	3.1747
C2	1.4654		1.4654	2.7023	1.3320	2.7023	3.5756	3.1747	2.1124	2.1124	3.1747	3.5756
C3	1.4654	1.4654		2.7023	2.7023	1.3320	3.1747	3.5756	3.5756	3.1747	2.1124	2.1124
C4	1.3320	2.7023	2.7023		3.7725	3.7725	1.0840	1.0840	3.9540	4.7540	4.7540	3.9540
C5	2.7023	1.3320	2.7023	3.7725		3.7725	4.7540	3.9540	1.0840	1.0840	3.9540	4.7540
C6	2.7023	2.7023	1.3320	3.7725	3.7725		3.9540	4.7540	4.7540	3.9540	1.0840	1.0840
H7	2.1124	3.5756	3.1747	1.0840	4.7540	3.9540		1.8466	5.0178	5.6794	5.0178	3.8329
H8	2.1124	3.1747	3.5756	1.0840	3.9540	4.7540	1.8466		3.8329	5.0178	5.6794	5.0178
H9	3.1747	2.1124	3.5756	3.9540	1.0840	4.7540	5.0178	3.8329		1.8466	5.0178	5.6794
H10	3.5756	2.1124	3.1747	4.7540	1.0840	3.9540	5.6794	5.0178	1.8466		3.8329	5.0178
H11	3.5756	3.1747	2.1124	4.7540	3.9540	1.0840	5.0178	5.6794	5.0178	3.8329		1.8466
H12	3.1747	3.5756	2.1124	3.9540	4.7540	1.0840	3.8329	5.0178	5.6794	5.0178	1.8466

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	121.595	C1	C4	H8	121.595
C2	C1	C3	60.000	C2	C1	C4	150.000
C2	C3	C6	150.000	C2	C5	H9	121.595
C2	C5	H10	121.595	C3	C1	C4	150.000
C3	C2	C5	150.000	C3	C6	H11	121.595
C3	C6	H12	121.595	H7	C4	H8	116.809
H9	C5	H10	116.809	H11	C6	H12	116.809

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)

using model chemistry: CID/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: CID/6-31G

States and conformations

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)