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	hartrees
Energy at 0K	-231.440988
Energy at 298.15K	-231.445342
HF Energy	-230.568342
Nuclear repulsion energy	186.663740

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3155	3050
2	A₁'	1860	1798
3	A₁'	1468	1419
4	A₁'	777	752
5	A₁"	729	705
6	A₂'	3257	3150
7	A₂'	1085	1049
8	A₂'	488	472
9	A₂"	859	831
10	A₂"	202	195
11	E'	3258	3150
11	E'	3258	3150
12	E'	3155	3050
12	E'	3154	3050
13	E'	1655	1600
13	E'	1654	1600
14	E'	1432	1385
14	E'	1432	1385
15	E'	1117	1080
15	E'	1117	1080
16	E'	787	761
16	E'	787	761
17	E'	215	208
17	E'	215	208
18	E"	853	825
18	E"	853	824
19	E"	743	719
19	E"	743	719
20	E"	330	319
20	E"	329	319

Atom	x (Å)	y (Å)
C1	0.000	0.846
C2	0.733	-0.423
C3	-0.733	-0.423
C4	0.000	2.200
C5	1.905	-1.100
C6	-1.905	-1.100
H7	-0.942	2.762
H8	0.942	2.762
H9	2.863	-0.565
H10	1.921	-2.197
H11	-1.921	-2.197
H12	-2.863	-0.565

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.4650	1.4650	1.3539	2.7230	2.7230	2.1356	2.1356	3.1921	3.5986	3.5986	3.1921
C2	1.4650		1.4650	2.7230	1.3539	2.7230	3.5986	3.1921	2.1356	2.1356	3.1921	3.5986
C3	1.4650	1.4650		2.7230	2.7230	1.3539	3.1921	3.5986	3.5986	3.1921	2.1356	2.1356
C4	1.3539	2.7230	2.7230		3.8100	3.8100	1.0973	1.0973	3.9804	4.7982	4.7982	3.9804
C5	2.7230	1.3539	2.7230	3.8100		3.8100	4.7982	3.9804	1.0973	1.0973	3.9804	4.7982
C6	2.7230	2.7230	1.3539	3.8100	3.8100		3.9804	4.7982	4.7982	3.9804	1.0973	1.0973
H7	2.1356	3.5986	3.1921	1.0973	4.7982	3.9804		1.8842	5.0551	5.7266	5.0551	3.8424
H8	2.1356	3.1921	3.5986	1.0973	3.9804	4.7982	1.8842		3.8424	5.0551	5.7266	5.0551
H9	3.1921	2.1356	3.5986	3.9804	1.0973	4.7982	5.0551	3.8424		1.8842	5.0551	5.7266
H10	3.5986	2.1356	3.1921	4.7982	1.0973	3.9804	5.7266	5.0551	1.8842		3.8424	5.0551
H11	3.5986	3.1921	2.1356	4.7982	3.9804	1.0973	5.0551	5.7266	5.0551	3.8424		1.8842
H12	3.1921	3.5986	2.1356	3.9804	4.7982	1.0973	3.8424	5.0551	5.7266	5.0551	1.8842

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	120.846	C1	C4	H8	120.846
C2	C1	C3	60.000	C2	C1	C4	150.000
C2	C3	C6	150.000	C2	C5	H9	120.846
C2	C5	H10	120.846	C3	C1	C4	150.000
C3	C2	C5	150.000	C3	C6	H11	120.846
C3	C6	H12	120.846	H7	C4	H8	118.307
H9	C5	H10	118.307	H11	C6	H12	118.307

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)

using model chemistry: MP4/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)