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	hartrees
Energy at 0K	-231.394550
Energy at 298.15K	-231.399022
HF Energy	-230.564653
Nuclear repulsion energy	189.012934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3231	3029	0.00
2	A₁'	1949	1827	0.00
3	A₁'	1527	1432	0.00
4	A₁'	807	757	0.00
5	A₁"	762	714	0.00
6	A₂'	3327	3119	0.00
7	A₂'	1123	1053	0.00
8	A₂'	512	480	0.00
9	A₂"	901	844	110.75
10	A₂"	200	188	4.10
11	E'	3327	3119	11.29
11	E'	3327	3119	11.29
12	E'	3231	3029	12.16
12	E'	3231	3029	12.16
13	E'	1743	1634	9.75
13	E'	1743	1634	9.75
14	E'	1490	1397	6.64
14	E'	1490	1397	6.64
15	E'	1158	1085	3.71
15	E'	1158	1085	3.71
16	E'	816	765	7.53
16	E'	816	765	7.53
17	E'	224	210	0.00
17	E'	224	210	0.00
18	E"	892	837	0.00
18	E"	892	837	0.00
19	E"	770	722	0.00
19	E"	770	722	0.00
20	E"	324	304	0.00
20	E"	324	304	0.00

Atom	x (Å)	y (Å)
C1	0.000	0.838
C2	0.726	-0.419
C3	-0.726	-0.419
C4	0.000	2.172
C5	1.881	-1.086
C6	-1.881	-1.086
H7	-0.925	2.731
H8	0.925	2.731
H9	2.828	-0.564
H10	1.903	-2.167
H11	-1.903	-2.167
H12	-2.828	-0.564

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.4515	1.4515	1.3337	2.6905	2.6905	2.1070	2.1070	3.1563	3.5565	3.5565	3.1563
C2	1.4515		1.4515	2.6905	1.3337	2.6905	3.5565	3.1563	2.1070	2.1070	3.1563	3.5565
C3	1.4515	1.4515		2.6905	2.6905	1.3337	3.1563	3.5565	3.5565	3.1563	2.1070	2.1070
C4	1.3337	2.6905	2.6905		3.7615	3.7615	1.0811	1.0811	3.9347	4.7373	4.7373	3.9347
C5	2.6905	1.3337	2.6905	3.7615		3.7615	4.7373	3.9347	1.0811	1.0811	3.9347	4.7373
C6	2.6905	2.6905	1.3337	3.7615	3.7615		3.9347	4.7373	4.7373	3.9347	1.0811	1.0811
H7	2.1070	3.5565	3.1563	1.0811	4.7373	3.9347		1.8504	4.9943	5.6555	4.9943	3.8051
H8	2.1070	3.1563	3.5565	1.0811	3.9347	4.7373	1.8504		3.8051	4.9943	5.6555	4.9943
H9	3.1563	2.1070	3.5565	3.9347	1.0811	4.7373	4.9943	3.8051		1.8504	4.9943	5.6555
H10	3.5565	2.1070	3.1563	4.7373	1.0811	3.9347	5.6555	4.9943	1.8504		3.8051	4.9943
H11	3.5565	3.1563	2.1070	4.7373	3.9347	1.0811	4.9943	5.6555	4.9943	3.8051		1.8504
H12	3.1563	3.5565	2.1070	3.9347	4.7373	1.0811	3.8051	4.9943	5.6555	4.9943	1.8504

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	121.154	C1	C4	H8	121.154
C2	C1	C3	60.000	C2	C1	C4	150.000
C2	C3	C6	150.000	C2	C5	H9	121.154
C2	C5	H10	121.154	C3	C1	C4	150.000
C3	C2	C5	150.000	C3	C6	H11	121.154
C3	C6	H12	121.154	H7	C4	H8	117.692
H9	C5	H10	117.692	H11	C6	H12	117.692

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)

using model chemistry: CCD/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: CCD/6-31G**

States and conformations

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)