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	hartrees
Energy at 0K	-229.850894
Energy at 298.15K	-229.855135
HF Energy	-229.253444
Nuclear repulsion energy	186.758366

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3113	3019
2	A₁'	1806	1752
3	A₁'	1527	1481
4	A₁'	728	706
5	A₁"	754	731
6	A₂'	3193	3097
7	A₂'	1125	1091
8	A₂'	515	500
9	A₂"	891	865
10	A₂"	187	182
11	E'	3194	3098
11	E'	3194	3097
12	E'	3112	3018
12	E'	3112	3018
13	E'	1643	1593
13	E'	1643	1593
14	E'	1488	1443
14	E'	1488	1443
15	E'	1153	1118
15	E'	1152	1118
16	E'	743	721
16	E'	743	720
17	E'	226	219
17	E'	225	218
18	E"	883	857
18	E"	883	857
19	E"	748	725
19	E"	748	725
20	E"	274	266
20	E"	274	266

Atom	x (Å)	y (Å)
C1	0.000	0.855
C2	0.740	-0.427
C3	-0.740	-0.427
C4	0.000	2.196
C5	1.902	-1.098
C6	-1.902	-1.098
H7	-0.930	2.767
H8	0.930	2.767
H9	2.861	-0.578
H10	1.931	-2.188
H11	-1.931	-2.188
H12	-2.861	-0.578

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.4802	1.4802	1.3415	2.7258	2.7258	2.1262	2.1262	3.1997	3.6042	3.6042	3.1997
C2	1.4802		1.4802	2.7258	1.3415	2.7258	3.6042	3.1997	2.1262	2.1262	3.1997	3.6042
C3	1.4802	1.4802		2.7258	2.7258	1.3415	3.1997	3.6042	3.6042	3.1997	2.1262	2.1262
C4	1.3415	2.7258	2.7258		3.8038	3.8038	1.0908	1.0908	3.9853	4.7911	4.7911	3.9853
C5	2.7258	1.3415	2.7258	3.8038		3.8038	4.7911	3.9853	1.0908	1.0908	3.9853	4.7911
C6	2.7258	2.7258	1.3415	3.8038	3.8038		3.9853	4.7911	4.7911	3.9853	1.0908	1.0908
H7	2.1262	3.6042	3.1997	1.0908	4.7911	3.9853		1.8593	5.0555	5.7219	5.0555	3.8626
H8	2.1262	3.1997	3.6042	1.0908	3.9853	4.7911	1.8593		3.8626	5.0555	5.7219	5.0555
H9	3.1997	2.1262	3.6042	3.9853	1.0908	4.7911	5.0555	3.8626		1.8593	5.0555	5.7219
H10	3.6042	2.1262	3.1997	4.7911	1.0908	3.9853	5.7219	5.0555	1.8593		3.8626	5.0555
H11	3.6042	3.1997	2.1262	4.7911	3.9853	1.0908	5.0555	5.7219	5.0555	3.8626		1.8593
H12	3.1997	3.6042	2.1262	3.9853	4.7911	1.0908	3.8626	5.0555	5.7219	5.0555	1.8593

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	121.545	C1	C4	H8	121.545
C2	C1	C3	60.000	C2	C1	C4	150.000
C2	C3	C6	150.000	C2	C5	H9	121.545
C2	C5	H10	121.545	C3	C1	C4	150.000
C3	C2	C5	150.000	C3	C6	H11	121.545
C3	C6	H12	121.545	H7	C4	H8	116.909
H9	C5	H10	116.909	H11	C6	H12	116.909

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)